**************************************************************************************************** * * * aflow - STEFANO CURTAROLO Duke University 2003-2021 * * High-Throughput ab-initio Computing Project * * * **************************************************************************************************** **************************************************************************************************** LATEST VERSION OF THE FILE: materials.duke.edu/AFLOW/README_PROTO.TXT **************************************************************************************************** **************************************************************************************************** **************************************************************************************************** PROTOTYPES LIB1 STR# Symmetry Name TYPE PROTO SG conc ----------------------------------------------------------------------------------------------- FCC A1,FCC,1,2 fcc/cF4 Fm-3m A1 Cu #225 A2,BCC,58,59 bcc/cI2 Im-3m A2 W #229 A3,HCP,115,117 hcp/hcp2 P6_3/mmc A3 Mg #194 A4,DIA,301,302 cF8 Fd-3m A4 C (DIA) #227 books A5,betaSn,305,306 tI4 I41/amd A5 betaSn #141 Navy Database A6,In,303,304 tI2 I4/mmm A6 Indium #139 Navy Database A7,As,307,308 hR6 R-3m A7 alphaAs #166 Kolmogorov A8 A9 A10,Hg,349,350 hR1 R-3m A10 alphaHg #166 ICSD **************************************************************************************************** **************************************************************************************************** **************************************************************************************************** PROTOTYPES BINARY STR# Pearson Symmetry Name TYPE PROTO SG notes ----------------------------------------------------------------------------------------------- FCC 1,2 fcc/cF4 Fm-3m A1 Cu #225 G(pic1N1) 1.cub,2.cub fcc/cF4 Fm-3m A1 Cu #225 G(pic1N1) 3 tP2 P4/mmm L1_0 AuCu #123 AB along [001] G(pic1N2,1) 4 hR2 R-3m L1_1 CuPt #166 AB along [111] G(pic1N2,2) 5,6 tI6 I4/mmm beta1/2 AB2 #139 AB2 along [100]z G(pic1N3,2,"C11_b") 7,8 oI6 Immm - MoPt2 #71 AB2 along [011] G(pic1N3,1) 9,10 hP3 P-3m1 alpha1/2 AB2 #164 AB2 along [111]z G(pic1N3,3,"C6") 11,12 oS8 Cmmm "L1_3"(unofficial) AB3 #65 "(A.5B.5)B along [111]" M(CdPt3,PdPt3,Pd3Pt) G(pic1N4,2) 13,15 tP4 P4/mmm Z1/3 AB3 #123 AB3 along [001]z M(PtTc3) G(pic1N4,8) 14 tP4 P4/nmm Z2 A2B2 #129 A2B2 along [001]z G(pic1N4,3,"B11") 16,18 mS8 C2/m ? AB3 #12 AB3 along [113] G(pic1N4,12) 17 mS8 C2/m W2 A2B2 #12 A2B2 along [311]z G(pic1N4,7) 19,21 oP4 Pmmm Y1/3 AB3 #47 AB3 along [011]z G(pic1N4,9) 20 oP4 Pmmm Y2 A2B2 #47 A2B2 along [011]z M(AgZr) G(pic1N4,4) 22,24 tI8 I4/mmm D0_22 Al3Ti #139 AB3 along [201] G(pic1N4,11) 23 tI8 I41/amd CH "40" NbP #141 A2B2 along [201] G(pic1N4,6,NbP) 25,26 cP4 Pm3(bar)m L1_2 AuCu3 #221 "(A.5B.5)B along [001]" G(pic1N4,1) 27,29 hR4 R-3m V1/3 AB3 #166 AB3 along [111]z G(pic1N4,10) 28 hR4 R-3m V2 A2B2 #166 A2B2 along [111]z G(pic1N4,5) BCC 58,59 bcc/cI2 Im-3m A2 W #229 58.cub,59.cub bcc/cI2 Im-3m A2 W #229 60 oS4 Cmmm D^19_2h gamma-IrV #65 AB along [101] 61 cP2 Pm-3m B2 CsCl #221 AB along [001] 62,63 hP3 P-3m1 ? AB2 #164 AB2 along [211] 64,65 oF12 Fmmm ? AB2 #69 AB2 along [011] WARNI FIX NpPd 66,67 tI6 I4/mmm C11_b MoSi2 #139 AB2 along [001] WARNI FIX NpPd 68,69 hR4 R-3m ? AB3 #166 UNDEF 70,72 oS8 Cmmm ? AB3 #65 UNDEF 71 oS8 Cmma ? A2B2 #67 UNDEF 73,75 mP4 P2/m ? AB3 #10 UNDEF 74 mP4 P21/m ? A2B2 #11 UNDEF 76,78 tP4 P4/mmm ? AB3 #123 AB3 along [001]z 77 tP4 P4/nmm B11 gamma-CuTi #129 A2B2 along [001]z 79,81 oI8 Immm ? AB3 #71 UNDEF M(MoTi3, Mo3Ti, Nb3Tc,MoTi3, Mo3Ti, Nb3Tc) 80 oI8 Imma ? A2B2 #74 UNDEF M(MoTi) 82,83 tP4 P4/mmm L6_0 CuTi3 #123 84,86 cF16 Fm-3m D0_3 AlFe3/BiF3 #225 85 cF16 Fd-3m B32 NaTl #227 HCP 115,117 hcp/hcp2 P6_3/mmc A3 Mg #194 116 hP2 P_6m2 B_h WC #187 118,121 oP4 Pmm2 ? AB3 #25 UNDEF 119 oP4 Pmmn - CuTe #59 120 oP4 Pmma B19 AuCd #51 123 oI8 C2/m ? A2B2 #12 UNDEF 122,124 oI8 Imm2 ? AB3 #44 UNDEF 125,127 hP4 P-6m2 ? AB3 #187 UNDEF 126 hP4 P-3m1 ? A2B2 #164 UNDEF M(RhRu) 128,132 mS12 Cm ? AB5 #8 UNDEF 129,134 mS12 C2/m ? A4B2 #12 BiHf2-134 #12 Hf-Paper 130,137 mS12 C2/m ? A4B2 #12 131,135 mS12 C2/m ? A4B2 #12 133,140 mS12 Cm ? A2B4 #8 UNDEF 136 mS12 Cm ? A3B3 #8 UNDEF 138,139 mS12 Cm ? A3B3 #8 UNDEF 141,145 oS12 Amm2 ? AB5 #38 142,147 oS12 Cmcm ? A4B2 #63 M(RhRu2) 143,150 oS12 Cmcm ? A4B2 #63 mistaken for C49, beware *144,148 oS12 Cmcm ? A4B2 #63 NOT RUN *146,153 oS12 Amm2 ? A2B4 #38 NOT RUN *149,151 oS12 Amm2 ? A3B3 #38 NOT RUN *152,157 oS12 Amm2 ? A3B3 #38 NOT RUN *154,160 hP6 P-62m ? AB5 #189 NOT RUN *155,158 hP6 P-62m ? A2B4 #189 NOT RUN *156,159 hP6 Cmcm ? A2B4 #63 NOT RUN *161,167 hR6 R32 ? AB5 #155 NOT RUN *162,165 hR6 R32 ? A2B4 #155 NOT RUN *163,166 hR6 C2/c ? A2B4 #15 NOT RUN *164 hR6 C2 ? A3B3 #5 NOT RUN *168,169 hP6 P-6m2 ? AB5 #187 NOT RUN *170,175 hP6 P-6m2 ? A2B4 #187 NOT RUN *172 mS8 P-6m2 ? A3B3 #187 NOT RUN *171,176 hP6 P-3m1 ? A2B4 #164 NOT RUN *173,177 hP6 P63/mmc ? A2B4 #194 NOT RUN *174 hP6 P3m1 ? A3B3 #156 NOT RUN LAVES AND OMEGAS 178,179 hP12 P6_3/mm C14 MgZn2 #194 A4B8 Hex Laves Str 180,181 oP16 Pnma D0_11 Fe3C #62 182,183 cF24 Fd-3m C15 Cu2Mg #227 Cub Laves Phase 184,185 cP8 Pm3(bar)n A15 Cr3Si #223 186,187 hP8 P6_3/mmc D0_19 Ni3Sn #194 188,189 oS12 Cmcm C49 ZrSi2 #63 190,191 hP3 P3m1 omega phase with Z=1/4 ! #164 192,193 oS8 Cmcm B33B_f CrB #63 194 oS8 Cmcm ITl ITl #63 Pauling 195 cP8 P2_13 B20 FeSi #198 Pauling 196,197 tP4 P4/nmm O2 CdTi #129 Pauling 198 oP24 Pbcm InTh #57 Pauling 199 tI16 I4/mcm B37 SeTl #140 Pauling 201 cF8 Fm-3m B1 NaCl #225 202,203 tI10 I4/mmm D1_3 BaAl4 #139 NEW 204,205 hP6 P6/mmm D2_d CaCu5 #191 206,207 tI26 I4/mmm D2_b ThMn12 #139 208,209 hP9 P-62m C22 Fe2P #189 210,211 oP12 Pnma C37 Co2Si #62 AL1851.cif 212,213 hR19 Th2Zn17 #166 214,215 cI28 I-43d D7_3 Th3P4 #220 216,217 hP3 P6/mmm C32 AlB2 #191 218 cF8 F-43m B3 ZnS #216 219 hP4 P63/mc B4 ZnS #186 220,221 hP4 P63/mmc B8_1 NiAs #194 222,223 hP16 P63/mcm D8_8 Mn5Si3 #193 128601.cif 224,225 hP38 P63/mmc Th2Ni17 #194 226,227 cP8 Pm-3n A15 Cr3Si #223 228,229 tP6 P4/nmm C38 Cu2Sb #129 230,231 tI12 C16 CuAl2 #140 232,233 tI6 I4/mmm C11_b MoSi2 #139 234,235 tl12 I4/mcm C16 Al2Cu #140 130617.cif 236,237 hP142 P63/mmc Cd58Y13 #194 ICSD_102087 ****NO 236,237 cl184 Im-3 Cd6Y (Y12Cd68) #204 130045.cif ****NO 238,239 hp24 P-6m2 Co3V #187 130340.cif 238,239 hp24 P63/mmc Pu3Al #194 Pauling FILE = Co3V ***240,241 P42/mnm D8_b CrFe #136 130307.cif ???? HARD 242,243 oP24 PmnmO2 NbPd3 #59 130379.cif 244,245 P63/mmc D0_24 Ni3Ti #194 AL5957.cif 246,247 hP6 P63/mmc CaIn2 #194 AL5296.cif 248,249 tI12 I41/amd C_c ThSi2 #141 AL2272.cif ***250,251 tI6 I4/mmm C11_a CaC2 #139 AL1909.cif UNRUNNABLE 252,253 cF24 F-43m C15_b AuBe5 #216 AL3669.cif 254,255 tI32 I4/mcm W5Si3 #140 AL2650.cif hP5 P63/mmc D5_2 La2O3 #194 130882.cif FRAC OCCUP 256 oP8 Pnma B27 BFe #62 AL1744.cif 257,258 oP6 Pnnm C18 FeS2 #58 marcasite AL1657.cif 259,260 hR5 R-3m C33 Bi2Te3 #166 120146.cif 261,262 cF96 Fd-3m Ti2Ni #227 263,264 tI14 I4/mmm Ti3Cu4 #139 120654.cif 265,266 tP10 Ti2Cu3 #129 IMPOSSIBLE 267,268 oP6 Pnnm C18 FeS2 #52 marcasite AL1657.cif 269,270 hP3 P-3m1 C6 CdI2 #164 AL4899.cif 271,272 oS16 Cmcm Cd3Y #63 18260.cif 273,274 hP6 P63/mmc B8_2 Ni2In #194 28249.cif 273p,274p hP5 P-6m2 Fe1.5Ge1 partial of Ni2In #187 Pauling S525640 275,276 hP6 P63/m Ni2Si #176 AL5234.cif 277,278 oP8 PmmnO1 D0_a betaCu3Ti #59 AL1729.cif 279,280 tI16 I4/mmm D0_23 Al3Zr #139 Navy Database 281,282 cP12 Pa-3 C2 FeS2 #205 chris pyrite 283,284 oI12 Imma GdSi2(1.4) #74 chris z=(0.0362,0.2138,0.6250) 285,286 tI10 I4/m D1_a MoNi4 #87 Navy Database 287,288 tI6 I4/mmm CuZr2 #139 Pauling file 289,290 cP4 Pm-3m D0_9 alphaReO3 #221 Navy Database 291,292 tP4 P4/nmm B10 PbO/PbS #129 Navy Database 301,302 cF8 Fd-3m A4 C (DIA) #227 books 303,304 tI2 I4/mmm A6 Indium #139 Navy Database 305,306 tI4 I41/amd A5 betaSn #141 Navy Database 307,308 hR6 R-3m A7 alphaAs #166 Kolmo 309,310 cF32 Fm-3m CuPt7 #225 (Ca7Ge) Navy Database 311,312 tI18 I4/mmm NbNi8 #139 (Pt8Ti) Navy Database 313,314 tI18 I4/mmm V4Zn5 #139 Navy Database 315,316 hP24 P6_3/mmc C36 MgNi2 #194 Navy Database 317,318 oS8 Cmca A11 alphaGa #64 Navy Database 319,320 cI58 I(-4)3m A12 alphaMn #217 Navy Database 321,322 cP20 P4_132 A13 betaMn #213 Navy Database 323,324 hP3 P3_21-D_3^6 A8 gammaSe #152 Navy Database 325,326 hP4 P63/mmc A9 graphite #194 Navy Database 327,328 tI2 I4/mmm Aa alphaPa #139 Navy Database 329,330 tP30 P4_2/mnm Ab betaU #136 Navy Database/Pauling 331,332 oP8 I4/mmm Ac alphaNp #62 Navy Database/Pauling 333,334 tP4 P4/nmm Ad betaNp #129 Navy Database/Pauling 335,336 hP1 P6/mmm Af hex HgSn_{6-10} #191 Navy Database 337,338 todo Ag T-50 boron 339,340 todo Ah simple cubic 341,342 todo Ai betaPo 343,344 todo Ak alphaSe 345,346 todo Al betaSe 347,348 todo A3' alphaLa 349,350 hR1 R-3m A10 alphaHg #166 ICSD A10.A/B 351,352 todo A14 In2 353,354 todo A16 alphaS 355,356 todo A17 black P 357,358 todo A20 alphaU 359,360 hP18 P63/mcm Ga4Ti5 #193 Pauling 361,362 tP20 P42/mnm Al2Zr3 #136 Pauling 363,364 hP7 P6/mmm Al3Zr4 #191 Pauling 365,366 oF40 F2dd Al3Zr2 #43 Pauling 367,368 cF112 Fm-3c NaZn13 #226 Pauling 369,370 cP7 Pm-3m CaB6 #221 Pauling 371,372 hP5 P-3m1 D5_19 Al3Ni2 #164 Navy Database 373,374 cI40 I-43m Ga4Ni(Ga3.62Ni0.97) #217 Navy Database (vacancies I23, #197) 375,376 oS16 Cmmm Ga3Pt5 #65 Navy Database 377,378 mS44 C12/m1 Ga9Ni13 #12 Pauling 379,380 cI112 Ia(-3)d Ga4Ni3 #230 Navy Database 381,382 tI24 I4_1/amd Ga2Hf #141 Navy Database 383,384 cF116 Fm-m C6Mn23 #225 ICSD 385,386 oP44 Pnma Cu8Hf3 #62 ICSD 387,388 oS68 Cmca Ni10Zr7 #64 ICSD_240191 389,390 tP3 P4/mmm Hg2Pt #123 ICSD_104339 391,392 oP20 Pnma B4Mg #62 Pauling 393,394 oI64 Imma B7Mg #74 Pauling 395,396 oP16 Pbam Ge3Rh5 #55 Pauling 397,398 tP14 P4/mbm In4Ti3 #127 Pauling 399,400 tP34 P4/nmm.O2 V8Sb9 V7.49Sb9 #129 Pauling 401,402 tI160 I-42d Li3B14 #122 Pauling/Kolmogorov 403,404 tP20 Pa/mbm LiB3 #127 Pauling/Kolmogorov 405,406 hR4 R-3m LiB-MS1 #166 Pauling 407,408 hP8 P63/mmc LiB-MS2 #194 Pauling 411,412 cI58 I-43m Re24Ti5 #217 Pauling 413,414 mS36 C12/m1 Ni7Zr2 #12 Pauling 415,416 tI40 I4/m Pt11Zr9 #87 Pauling 417,418 oP20 Pnma Au4Zr #62 Pauling 419,420 oI142 Immm Hf54Os17 #71 Pauling 421,422 hP9 P6_222 C40 CrSi2 #180 Pauling 423.424.t0 hP68 P6/m Ag51Gd14.o3.t0 #175 Pauling 423.424.t1 hP68 P6/m Ag51Gd14.o3.t1 #175 Pauling 423.424.t2 hP68 P6/m Ag51Gd14.o3.t2 #175 Pauling 423,424.t3 hP68 P6/m Ag51Gd14.o2.t3 #175 Pauling 423,424.t4 hP68 P6/m Ag51Gd14.o2.t4 #175 Pauling 423,424.t5 hP68 P6/m Ag51Gd14.o2.t5 #175 Pauling 423,424.t6 hP68 P6/m Ag51Gd14.o2.t6 #175 Pauling 423,424.t7 hP68 P6/m Ag51Gd14.o1.t7 #175 Pauling 423,424.t8 hP68 P6/m Ag51Gd14.o1.t8 #175 Pauling 423,424.t9 hP68 P6/m Ag51Gd14.o1.t9 #175 Pauling 425,426 cF184 Fd-3m Zn22Zr #227 Pauling 427,428 oP24 Pnnm As2Ti #58 Pauling 429,430 tI84 I4/mmm Ge10Ho11 #139 Pauling 431,432 hP48 P6_122 Ir3Zr5 #178 Pauling 433,434 oP6 Pnnm CaCl2 #58 Pauling 435,436 cP5 P-43m CFe4 #215 Pauling 437,438 mS28 C12/c1 C2Mn5 #15 Pauling 439,440 oP40 Pnma C3Mn7 #62 Pauling 441,442 hP20 P6_3mc Fe3Th7 #186 Pauling 443,444 hR24 R-3cr F3Fe #167 Pauling 445,446 hR24 P321 F3Fe #150 Pauling 447,448 mP4 P12_1/m1 NiTi #11 Pauling 449,450 cP6 Pn-3m C3 Ag2O #224 ICSD_281041 Cuprite 451,452 hP9 P-3 Bb etaAg2Zn #147 Navy Database 453,454 mS16 C2/m D0_15 AlCl3 #12 ICSD_39566 455,456 hR8 R32 D0_14 AlF3 #155 ICSD_30274 457,458 hR10 R-3c D5_1 alphaAl2O3 #167 ICSD_75479 Corundum 459,460 cI26 Im-3 Al12W #204 ICSD_58207 461,462 oP12 P212121 Ag2Se #19 ICSD_15213 Naumannite 463,464 hR26 R-3 AlPd #148 ICSD_58112 465,466 cP16 Pa-3 SC16 AlSb #205 ICSD_41994 467,468 cI52 I-43m gammaBrass Cu5Zn8 #217 Pauling 469,470 hR36 R-3m h BaPb3 #166 Pauling 471,472 hP8 Cmcm Hf3Sc*-h321 #63 Hf-Paper 473,474 hP6 P-62m Hf5Sc-h51 #189 Hf-Paper 475,476 mS12 C2/m BiHf2-134 #12 Hf-Paper 477,478 tP6 P4/mmm Hf5Pb-f63 #123 Hf-Paper 479,480 oS12 Cmmm HfPd5 #65 Hf-Paper 481,482 hR276 R-3ch Re25Zr21 #167.2 Pauling 483,484 tP6 P4/mmm B11_3 #123 Mike Mehl bcc_AAABBB^[001] 485,486 tP6 P4mm B11_3' #99 Mike Mehl bcc_AABBAB^[001] 487,488 tP6 P4/mmm Z3 #123 Mike Mehl fcc_AAABBB^[001] 489,490 tP6 P4mm Z3' #99 Mike Mehl fcc_AABBAB^[001] 491,492 oP102 Pmn2_1 Al13Co4 #31 Pauling - Grin J_Al_Comp_206_243_1994 493,494 ms102 C1m1 Al12.13Co4 eta #8 Pauling - Hurd Acta Cryst 15 441 1962 495,496 hP28 P6_3/mmc Al5Co2 D8_11 #194 Pauling 497,498 mp22 P12_1/c1 Al9Co2 #14 Pauling 499,500 tP10 P-42_1c Pd4Se #114 Pauling 501,502 cF1192 Fd(-3)m NaCd2 #227 Samson, Nature 195, 259 (1962) 503,504 hP10 P6_3/m Er3Ru2 #176 Pauling 505,506 oP40 Pnma Pt3Sr7 #62 Pauling 507,508 cF120 Fm-3m Ir4Sc11 #225 Pauling 509,510 oP276 Pnna Ru25Y44 #52 Pauling 511,512 cP252 P4_132 RuZn6 #213 Pauling 513,514 mP4 P21/m B19' NbRu-Beta'' #11 Eur.Phys.J.B 72 575(2009) 515,516 cF96 Fd-3m delta(CdNi) #227.2 Pauling 517,518 hP3 P-3m1 Cd2Ce #164 Pauling 519,520 hP3 P6/mmm Hg2U #191 Pauling 521,522 hP9 P-62m InMg2 #189 Pauling 523,524 oS16 Cmcm Cd3Er #63 Pauling 525,526 hP8 P6_3/mmc CdMg3 #194 Pauling 527,528 hP24 P6_3/mmc CeNi3 #194 Pauling 529,530 oP32 Pnma CoSc3 #62 Pauling 531,532 tP4 P4/mmm Pb3Sr #123 Pauling 533,534 hR36 R-3mh PuNi3 #166 Pauling 535,536 oP16 Pnma YZn3 #62 Pauling 537,538 hR4 R-3m Co2Y2* #166 hcp-paper definition 539,540 mS12 C2/m Sc2Zr* #12 hcp-paper definition 541,542 oI8 Immm Mo3Ti*-81 #71 hcp-paper/monster 543,544 oI8 Imma MoTi*-80 #74 hcp-paper/monster 545,546 hR3 P-3m1 ReTi2*-81 #164 hcp-paper 547,548 tI6 I4/mmm Hf2Tl*-6 #139 hf-paper 549,550 oF12 Fmmm Be2Zn*-65 #69 hcp-paper 551,552 oI8 Imm2 Re3Ru*-124 #44 hcp-paper 553,554 hP24 P63cm D0_21 Cu2.82P #185 Pauling 555,556 oP108 Pnma Mg2Au #62 Pauling 557,558 cF16 Fm-3m BiF3 #225 Pearson's crystal data 559,560 cI58 I-43m Al12Mg17 #217 Pauling 561,562 oS160 Cmcm MgAu3-x #63 Pauling 563,564 oS64 Cmcm MgAu3+x #63 Pauling 565,566 oF48 Fddd Mg2Cu #70 Pauling 567,568 hP18 P-62c Mg2Ga #190 Pauling 569,570 oP24 Pbam MgGa2 #55 Pauling 571,572 oI28 Ibam Mg5Ga2 #72 Pauling 573,574 tI28 I4/mmm Mg2Ga5 #139 Pauling 575,576 tI32 I41/a MgGa #88 Pauling 577,578 hR72/24 R32 Mg3Hg #155 Pauling 579,580 hR48/16 R-3m Mg3In #166 Pauling 581,582 cF408 F-43m Mg44Rh7 #216 Pauling 583,584 cF12 Fm-3m CaF2 #225 Pauling 585,586 hP8 P63/mmc D0_18 Al3Ir #194 Pauling 587,588 cF116 Fm-3m Mn23Th6 #225 Pauling 589,590 cP39 Pm-3 Mg2Zn11 #200 Pauling 591,592 mS110 C2/m Mg4Zn7 #12 Pauling 593,594 cP20 P4_132 Mg3Ru2 #213 Pauling 595,596 oS12 Cmcm Au2V #63 Pauling 597,598 hP94 P63/mmc Sr9Mg38 #194 Pauling 600.ABCDE tP30 P4_2/mnm sigma CrFe #136 Pauling 600.XXXXX where X can be A,B (a total of 32 poscars) 611,612 cP140 Pm-3 Rh13Sc57 #200 Pauling 613,614 hR13 Imm2 Fe7W6 #166 Pauling 615,616 oP24 Pbca AuSn2 #61 Pauling 617,618 mS12 C2./m Bi2Pd #12 Pauling 619,620 mS28 C2./m Bi2Pd5 #12 Pauling 621,622 oP16 Pnma Bi3Ni #62 Pauling 623,624 oP32 Pnma Bi3Y5 #62 Pauling 625,626 cI120 Ia-3d Bi4Rh #230 Pauling 627,628 hR48 R-3m BiMn3 #166 Pauling 629,630 oP16 Pmma BiPd3 #51 Pauling 631,632 tI12 I4/mmm BiTi2 #139 Pauling 633,634 mP12 P2_{1}./c CoSb2 #14 Pauling 635,636 hR78 R3m Cu7Hg6 #160 Pearson (Gamma-Brass Cu5Zn8 Modified) 637,638 oI12 Imma Hg2K #74 Pauling 639,640 cI52 I-43m Ir2Zn11 #217 Pauling files (Gamma-Brass Cu5Zn8 Modified Occupancy 641,642 tI32 I-4 D0_e Ni3P #82 Pauling 643.AB/BA aP32 P-1 KP15 #2 Pauling 644.AB/BA tI116 I4_1/a Pu28Zr #88 Pauling 645.AB/BA cF52 Fm-3m B12U #225 Pauling 646.AB/BA oS68 Cmcm TiZn16 #63 Pauling 647.AB/BA tI140 I4/mcm Rh2Y3 #140 Pauling 648.AB/BA tP32 P4/ncc Rh3Pu5 #130 Pauling 649.AB/BA tI32 I-42m alpha-SV3 #121 Pauling 650.AB oP12 Pmma IrTa #51 Pauling 651.AB/BA oP36 Pnma Ge4Sm5 #62 Pauling 652.AB/BA oP12 Pnma Cl2Pb #62 Pauling 653.AB/BA mP16 P12_1 NbPt3 #11 Pauling 654.AB/BA cI10 Im-3m Hg4Pt #229 Pauling 655.AB/BA hR14 R-3 Pd4Pu3 #148 Pauling 656.AB/BA hR15 R-3 Er3Ni2 #148 Pauling 657.AB/BA oI6 Immm Pd2Ti #71 Pauling 658.AB/BA tP8 P4/mmm Pd5Ti3 #123 Pauling 659.AB/BA oS20 Cmcm Pd3Ti2 #63 Pauling 660.AB/BA tP14 P4/mbm Hg5Mn2 #127 Pauling 661.AB/BA oS32 Cmcm Pu3Pd5 #63 Pauling 662.AB/BA oS12 Cmmm Ga2Zr #65 G. Ghosh and M.Asta, Acta Mat. 53, 3225-3252 (2005). 663.AB/BA mP30 P21/c FeP4_mP30 #14 Pauling 664.AB/BA mS40 C2/C FeP4_mS40 #15 Pauling 665.AB/BA tP16 P4/2mnm In3Ir #136 Pauling 666.AB/BA mS44 C2/m Fe6Ge5 #12 Pauling 667.AB/BA mS42 C2/m Fe3Ga4 #12 Pauling 668.AB/BA oS28 Cmcm Al6Mn #63 Pauling 669.AB oP8 Pnma AsFe #62 Pauling 670.AB/BA hP6 P6/mmm B35 CoSn #191 Pauling 671.AB/BA cI32 Im-3 D0_2 As3Co #204 Pauling 672.AB/BA cI32 Im-3m #229 Mike - 16 atom scell fcc, A15B1 673.AB/BA cP16 Pm-3m #221 Mike - 16 atom scell bcc, A15B1 674.A/B hP3 P6/mmm #191 Mike - omega phase (C32) in pure form 675.A/B cP8 Pm-3n #223 Mike - A15 phase in pure form 676.AB/BA hP22 P6/mmc Fe6.5Ge4-ideal(Fe14Ge8) #194 Pauling 676p.AB/BA oS42 Amm2 Fe6.5Ge4-part(Fe13Ge8) #38 Pauling 677.AB/BA hR26 R3m Al8Cr5 #160.2 ICSD_606753 678.AB/BA tI24 I4mm Co5Ge7 #107 ICSD_43386 679.AB/BA cP5 Pm-3m E2_1 #221 NAVY 680.AB/BA tP12 P4/mmm beta-NW2 #123 NAVY (Hagg, sort of) 681.AB/BA hR3 R3m alpha-MoS2 #160 NAVY 682.AB/BA hR13 R-3m D8_5r #166 NAVY 683.AB/BA cI50 Im-3m Na13Cl12v7 #229 NAVY 684.A/B cP8 P2_13 alpha-N2 #198 NAVY 685.A/B cP8 Pa-3 alpha-N2p #205 NAVY 686.A/B hP4 P6_3/mmc beta-N2 #194 NAVY 687.A/B hR16 R-3c epsilon-N2 #167 NAVY 688.A/B tP4 P4_2/mnm gamma-N2 #136 NAVY 689.AB/BA hP6 P6_3/mmc WN2_194af #194 NAVY 690.AB/BA mP12 P2_1/c Ag2Te #14 NAVY 691.AB/BA cF12 Fm-3m C1 #225 NAVY 692.AB/BA hR3 R-3m C19 #166 NAVY 693.AB/BA tP6 P4_2/mnm C4 #136 NAVY 694.AB/BA hP6 P6_3/mmc C7 #194 NAVY 695.AB/BA hP3 P-6m2 WN2_187fg #187 NAVY 696.AB/BA hP6 P6_3/mmc WN2_194de #194 NAVY 697.AB/BA tP10 P4_2/mmc Hagg_N4W6 #131 NAVY 698.AB/BA oP16 Pnma MoO3 #62 NAVY 699.AB/BA hP12 P6/mmm O3W #191 NAVY 700.AB/BA oP16 Pnma P3Tc #62 NAVY 701.AB/BA hP5 P-3m1 WN4_164ad #164 NAVY 702.AB/BA hP20 P6_3/mmc B4W #194 NAVY 703.AB/BA oP40 Pbca P4Re #61 NAVY 704.AB/BA hP14 P6_3/mmc B8_1v2 #194 NAVY 705.AB/BA oS28 Cmca B8_1v2p #64 NAVY 706.AB/BA oS14 Cmmm Na4Cl3v1 #65 NAVY 707.AB/BA cP7 P-43m C4W3 #215 NAVY 708.AB/BA cP7 Pm-3m S3U4 #221 NAVY 709.AB/BA mS14 C2/m O5Nb2 #12 NAVY 710.AB/BA hP13 P-3m1 B8_1v3 #164 NAVY 711.AB/BA cF52 Fm-3m Na7Cl6_v3 #225 NAVY 712.AB/BA cF60 Fm-3m Na7Cl8v1 #225 NAVY 713.AB/BA hP15 P-3m1 B8_1v1 #164 NAVY 714.AB/BA hP15 P-6m2 B8_1v1p #187 NAVY 715.AB/BA tP2 P4/mmm Na1Cl1v2 #123 NAVY 716.AB/BA tP6 P4/mmm Na3Cl3v2 #123 NAVY 717.AB/BA hP14 P3m1 B8_1v2pp #156 NAVY 718.AB/BA hR6 R3m B3v2 #160 NAVY 719.AB/BA cF56 F-43m Na7Cl7v2 #216 NAVY 720.AB/BA cF8 Fm-3m B1 #225 NAVY 721.AB/BA hP6 P-62m NTa #189 NAVY 722.AB/BA cP6 Pm-3m NbO #221 NAVY 723.AB/BA hP16 P6_3mc NbS #186 NAVY 724.AB/BA tP3 P4/mmm Hagg_NW2 #123 NAVY 725.AB/BA tI12 I4_1/amd Mo2N #141 NAVY 726.AB/BA hP9 P-31m NV2 #162 NAVY 727.AB/BA hP9 P-3m1 NW2_Pearson #164 NAVY 728.A/B cP8 Pm-3n beta-W #223 NAVY 729.AB/BA oP76 Pnma Ge8Mn11 #62 Pauling 730.AB/BA hP48 P-3c1 NaTe3 #165 ICSD_61355 731.AB/BA oP48 Pbcn NaTe #60 ICSD_61382 732.AB/BA mP40 P121/c1 Sb3Sr2 #60 ICSD_32033 733.AB/BA mS16 C12/m1 SrAs3 #12 ICSD_41831 734.AB/BA tI12 I4/mmm La2Sb #139 ICSD_10442 735.AB/BA oP32 Pnma Ga5Tm3 #62 ICSD_104009 **** BORIDES PROJECT 1000.AB/BA cP7 Pm-3m B6Si1 #221 ICSD_20240 binary_boride_ICSD_frequency=21 1001.AB/BA hP3 P6/mmm B2Zr1 #191 ICSD_30327 binary_boride ICSD frequency=17 1002.AB/BA cF52 Fm-3m B12Y1 #225 ICSD_23860 binary_boride_ICSD_frequency=16 1003.AB/BA hP3 P6/mmm B2Mg1 #191 ICSD_26675 binary_boride_ICSD_frequency=13 1004.AB/BA tP20 P4/mbm B4La1 #127 ICSD_2360 binary_boride_ICSD_frequency=12 1005.AB/BA oS8 Cmcm B1Ni1 #63 ICSD_26937 binary_boride_ICSD_frequency=8 1006.AB/BA tI12 I4/mcm B1Mo2 #140 ICSD_24278 binary_boride_ICSD_frequency=8 1007.AB cF8 F-43m As1B1 #216 ICSD_43871 binary_boride_ICSD_frequency=5 1008.AB/BA oI14 Immm B4Cr3 #71 ICSD_33704 binary_boride_ICSD_frequency=5 1009.AB cF8 Fm-3m B1Pu1 #225 ICSD_43661 binary_boride_ICSD_frequency=4 1010.AB/BA tP10 P4/mbm B2V3 #127 ICSD_88317 binary_boride_ICSD_frequency=4 1011.AB/BA hP3 P6/mmm B2Zr1 #191 ICSD_169458 binary_boride ICSD frequency=3 1012.AB/BA oS20 Cmcm B3V2 #63 ICSD_79258 binary_boride_ICSD_frequency=3 1013.AB/BA tP20 P4/mbm B4Ce1 #127 ICSD_612719 binary_boride ICSD frequency=3 1014.AB/BA cF116 Fm-3m B6Fe23 #225 ICSD_54786 binary_boride_ICSD_frequency=3 1015.AB hP2 P-6m2 B1Tc1 #187 ICSD_168895 binary_boride_ICSD_frequency=2 1016.AB/BA hP4 P6_{3}/mmc B1Pt1 #194 ICSD_24363 binary_boride_ICSD_frequency=2 1017.AB/BA hP6 P6_{3}/mmc B2Re1 #194 ICSD_23871 binary_boride_ICSD_frequency=2 1018.AB/BA oP6 Pmmn B2Ru1 #59 ICSD_31871 binary_boride_ICSD_frequency=2 1019.AB/BA mS14 C2/m B5W2 #12 ICSD_20326 binary_boride_ICSD_frequency=2 1020.AB/BA oP8 Pnma B1Fe1 #62 ICSD_391329 binary_boride ICSD frequency=2 1021.AB/BA tI16 I4_{1}/amd B1Mo1 #141 ICSD_24280 binary_boride_ICSD_frequency=2 1022.AB/BA oS16 Cmcm B1Re3 #63 ICSD_43662 binary_boride_ICSD_frequency=2 1023.AB/BA hP10 P6_{3}/mmc B3Ru2 #194 ICSD_23715 binary_boride_ICSD_frequency=2 1024.AB/BA oP16 Pnma B1Ni3 #62 ICSD_24306 binary_boride_ICSD_frequency=2 1025.AB/BA hP20 P6_{3}mc B3Ru7 #186 ICSD_44343 binary_boride_ICSD_frequency=2 1026.AB cP2 Pm-3m B1Tc1 #221 ICSD_168900 binary_boride_ICSD_frequency=1 1027.AB/BA cF12 Fm-3m B1Be2 #225 ICSD_20384 binary_boride_ICSD_frequency=1 1028.AB/BA hP3 P6/mmm B2Nb1 #191 ICSD_614887 binary_boride ICSD frequency=1 1029.AB/BA oS8 Cmcm B1Rh1 #63 ICSD_150732 binary_boride_ICSD_frequency=1 1030.AB/BA hP4 P6_{3}/mmc B1Tc1 #194 ICSD_168897 binary_boride_ICSD_frequency=1 1031.AB/BA hP4 P6_{3}/mmc B1Tc1 #194 ICSD_168898 binary_boride_ICSD_frequency=1 1032.AB/BA hR4 R-3m B2Li2 #166 Kolmogorov-Curtarolo LiB binary_boride_ICSD_frequency=1 1033.AB/BA oI10 Immm B4Cr1 #71 ICSD_24353 binary_boride ICSD frequency=1 1034.AB/BA mS10 C2/m B4Mn1 #12 ICSD_15079 binary_boride_ICSD_frequency=1 1035.AB/BA tI12 I4/mcm B1Fe2 #140 ICSD_160788 binary_boride ICSD frequency=1 1036.AB/BA tI12 I4/mcm B1Fe2 #140 ICSD_160789 binary_boride_ICSD_frequency=1 1037.AB/BA tI12 I-42m B1Fe2 #121 ICSD_16809 binary_boride_ICSD_frequency=1 1038.AB/BA oP6 Pnnm B1Pd2 #58 ICSD_10487 binary_boride_ICSD_frequency=1 1039.AB/BA hP6 P6_{3}/mmc B1Pt2 #194 ICSD_615207 binary_boride_ICSD_frequency=1 1040.AB/BA tI12 I4/mcm B1Ti2 #140 ICSD_189385 binary_boride_ICSD_frequency=1 1041.AB/BA mS12 C2/m B2Mo1 #12 ICSD_418398 binary_boride ICSD frequency=1 1042.AB/BA cF24 Fd-3m B2Sc1 #227 ICSD_106903 binary_boride_ICSD_frequency=1 1043.AB/BA hR6 R-3m B4Mo2 #166 ICSD_39554 binary_boride_ICSD_frequency=1 1044.AB/BA oI14 Immm B4Mn3 #71 ICSD_614732 binary_boride ICSD frequency=1 1045.AB/BA oI14 Immm B4Nb3 #71 ICSD_76631 binary_boride ICSD frequency=1 1046.AB/BA mS14 C2/m B5W2 #12 ICSD_20326 binary_boride_ICSD_frequency=1 1047.AB/BA oP8 Pnma B1Co1 #62 ICSD_612863 binary_boride_ICSD_frequency=1 1048.AB/BA hP8 P6_{3}22 B1Fe3 #182 ICSD_184958 binary_boride_ICSD_frequency=1 1049.AB/BA oP8 Pnma B1Li1 #62 ICSD_153291 binary_boride_ICSD_frequency=1 1050.AB/BA oP8 Pnma B1Mn1 #62 ICSD_76630 binary_boride ICSD frequency=1 1051.AB/BA hP8 P6_{3}/mmc B2Li2 #194 Kolmogorov-Curtarolo LiB binary_boride_ICSD_frequency=1 1052.AB/BA hR8 R-3m B3Mo1 #166 ICSD_167734 binary_boride_ICSD_frequency=1 1053.AB/BA hP8 P6_{3}/mmc B3Re1 #194 ICSD_24361 binary_boride_ICSD_frequency=1 1054.AB/BA hP10 P6_{3}/mmc B3Ru2 #194 ICSD_108082 binary_boride_ICSD_frequency=1 1055.AB/BA oP10 Pnnm B4Cr1 #58 ICSD_186851 binary_boride_ICSD_frequency=1 1056.AB/BA oP10 Pnnm B4Fe1 #58 ICSD_425311 binary_boride ICSD frequency=1 1057.AB/BA hP10 P6_{3}/mmc B4Mo1 #194 ICSD_167735 binary_boride_ICSD_frequency=1 1058.AB/BA oS22 Cmmm B6Ta5 #65 ICSD_68538 binary_boride_ICSD_frequency=1 1059.AB/BA cF48 F-43m B11Li1 #216 ICSD_164841 binary_boride_ICSD_frequency=1 1060.AB/BA hR12 R3m B11Li1 #160 ICSD_164842 binary_boride_ICSD_frequency=1 1061.AB/BA cF48 F-43m B11Li1 #216 ICSD_164843 binary_boride_ICSD_frequency=1 1062.AB/BA tI24 I-4m2 B11Li1 #119 ICSD_164844 binary_boride_ICSD_frequency=1 1063.AB/BA tI24 I-4m2 B11Li1 #119 ICSD_164845 binary_boride_ICSD_frequency=1 1064.AB/BA oF48 Fddd B1Cr2 #70 ICSD_188474 binary_boride_ICSD_frequency=1 1065.AB/BA oP12 Pnma B1Rh2 #62 ICSD_24699 binary_boride_ICSD_frequency=1 1066.AB/BA oP12 Pnma B2Fe1 #62 ICSD_425310 binary_boride_ICSD_frequency=1 1067.AB/BA hP12 P6_{3}/mmc B2W1 #194 ICSD_23716 binary_boride_ICSD_frequency=1 1068.AB/BA tI26 I4/mmm B12Sc1 #139 ICSD_615424 binary_boride_ICSD_frequency=1 1069.AB/BA mS28 C2/c B2Pd5 #15 ICSD_43513 binary_boride_ICSD_frequency=1 1070.AB/BA mS28 C2/c B3Ni4 #15 ICSD_150561 binary_boride ICSD frequency=1 1071.AB/BA mS28 C2/c B3Ni4 #15 ICSD_24308 binary_boride_ICSD_frequency=1 1072.AB/BA hP14 P6_{3}/mmc B5Mo2 #194 ICSD_167733 binary_boride_ICSD_frequency=1 1073.AB/BA hP14 P6_{3}/mmc B5W2 #194 ICSD_615696 binary_boride_ICSD_frequency=1 1074.AB/BA hR15 R-3m B12Si3 #166 ICSD_615435 binary_boride ICSD frequency=1 1075.AB/BA oP16 Pnma B1Co3 #62 ICSD_44339 binary_boride_ICSD_frequency=2 1076.AB/BA oP16 Pnma B1Pd3 #62 ICSD_43514 binary_boride_ICSD_frequency=1 1077.AB/BA tP16 P4_{2}/mmc B4Mn4 #131 ICSD_74985 binary_boride_ICSD_frequency=1 1078.AB/BA hP18 R-3m B2Mo1 #166 ICSD_418397 binary_boride ICSD frequency=1 1079.AB/BA hP18 P6_{3}/mmc B4Rh5 #194 ICSD_86395 binary_boride_ICSD_frequency=1 1080.AB/BA hP20 P6_{3}/mmc B4W1 #194 ICSD_43193 binary_boride_ICSD_frequency=1 1081.AB/BA tP20 P4/mbm B4W1 #127 ICSD_615683 binary_boride_ICSD_frequency=1 1082.AB/BA hP20 P6_{3}cm B9Li1 #185 ICSD_164625 binary_boride_ICSD_frequency=1 1083.AB/BA oS46 Cmmm B20Na3 #65 ICSD_407159 binary_boride_ICSD_frequency=1 1084.AB/BA oP28 Pnma B3Ni4 #62 ICSD_24307 binary_boride_ICSD_frequency=1 1085.AB/BA oI64 Imma B3Si1 #74 ICSD_412621 binary_boride_ICSD_frequency=1 1086.AB/BA oP38 Pbam B8Ru11 #55 ICSD_43663 binary_boride_ICSD_frequency=1 **** CARBIDE PROJECT 001.AA fcc/cF4 Fm-3m A1 Cu #225 from gndstate 001.BB fcc/cF4 Fm-3m A1 Cu #225 from gndstate 058.AA bcc/cI2 Im-3m A2 W #229 from gndstate 058.BB bcc/cI2 Im-3m A2 W #229 from gndstate 115.AA hcp/hcp P6_3/mmc A3 Mg #194 from gndstate 115.BB hcp/hcp P6_3/mmc A3 Mg #194 from gndstate 201.AB cF8 Fm-3m B1 NaCl #225 from gndstate 061.AB cP2 Pm-3m B2 CsCl #221 from gndstate 218.AB cF8 F-43m B3 ZnS #216 from gndstate 219.AB hP4 P63/mc B4 ZnS #186 from gndstate 116.AB hP2 P_6m2 B_h WC #187 from gndstate 301.AA cF8 Fd-3m A4 C (DIA) #227 BOOK 301.BB cF8 Fd-3m A4 C (DIA) #227 BOOK 325.AA hP4 P63/mmc A9 C (GRA) #194 BOOK 325.BB hP4 P63/mmc A9 C (GRA) #194 BOOK 1200.AB cF8 Fm-3m C1Ti1 #225 ICSD_1546 binary_carbide_ICSD_frequency=30 1201.AB cF8 F-43m C1Si1 #216 ICSD_24217 binary_carbide_ICSD_frequency=20 1202.AB/BA tI6 I4/mmm C2U1 #139 ICSD_14330 binary_carbide_ICSD_frequency=18 1203.AB/BA cI40 I-43d C3Pr2 #220 ICSD_2444 binary_carbide_ICSD_frequency=17 1204.AB hP2 P-6m2 C1W1 #187 ICSD_15406 binary_carbide_ICSD_frequency=12 1205.AB cP2 Pm-3m C1Sc1 #221 ICSD_181048 binary_carbide_ICSD_frequency=11 1206.AB/BA cI132 Im-3 C60K6 #204 ICSD_66879 binary_carbide_ICSD_frequency=5 1207.AB/BA hR3 R-3m C1Y2 #166 ICSD_22283 binary_carbide_ICSD_frequency=4 1208.AB/BA mS12 C2/c C2Ca1 #15 ICSD_54184 binary_carbide_ICSD_frequency=4 1209.AB/BA oP16 Pnma C1Fe3 #62 ICSD_16593 binary_carbide_ICSD_frequency=4 1210.AB/BA tP70 P4/mnc C4Sc3 #128 ICSD_71145 binary_carbide_ICSD_frequency=4 1211.AB/BA tI6 I4/mmm Ba1C2 #139 ICSD_56160 binary_carbide_ICSD_frequency=3 1212.AB/BA hP3 P-3m1 C1Nb2 #164 ICSD_43670 binary_carbide_ICSD_frequency=3 1213.AB/BA oP12 Pbcn C1Mo2 #60 ICSD_65701 binary_carbide_ICSD_frequency=3 1214.AB/BA cP12 Pa-3 C2Th1 #205 ICSD_77470 binary_carbide_ICSD_frequency=3 1215.AB/BA oP16 Pnma C2Rb2 #62 ICSD_51529 binary_carbide_ICSD_frequency=3 1216.AB/BA oP18 Pbam C5Y4 #55 ICSD_84869 binary_carbide_ICSD_frequency=3 1217.AB/BA tP68 P-42_{1}c C19Sc15 #114 ICSD_42631 binary_carbide_ICSD_frequency=1 1218.AB/BA cF12 Fm-3m Be2C1 #225 ICSD_41567 binary_carbide_ICSD_frequency=2 1219.AB/BA hP3 P-6m2 C2Os1 #187 ICSD_168279 binary_carbide_ICSD_frequency=2 1220.AB/BA oI8 Immm C2Li2 #71 ICSD_25705 binary_carbide_ICSD_frequency=2 1221.AB/BA hP6 P6_{3}/mmc C2Os1 #194 ICSD_168280 binary_carbide_ICSD_frequency=2 1222.AB/BA oP12 Pbcn C1V2 #60 ICSD_9965 binary_carbide_ICSD_frequency=2 1223.AB/BA mP22 P2_{1}/c C7Ho4 #14 ICSD_83381 binary_carbide_ICSD_frequency=2 1224.AB/BA cF116 Fm-3m C6Cr23 #225 ICSD_69536 binary_carbide_ICSD_frequency=2 1225.AB/BA hR3 R-3m Ba1C2 #166 ICSD_186576 binary_carbide_ICSD_frequency=1 1226.AB/BA hP3 P-6m2 C1Mo2 #187 ICSD_43669 binary_carbide_ICSD_frequency=1 1227.AB/BA hP3 P-3m1 C1Sc2 #164 ICSD_280743 binary_carbide_ICSD_frequency=1 1228.AB/BA tI6 I4/mmm C2Re1 #139 ICSD_184661 binary_carbide_ICSD_frequency=1 1229.AB/BA tP3 P4/mmm C2Re1 #123 ICSD_184664 binary_carbide_ICSD_frequency=1 1230.AB hP4 P6_{3}mc C1Nb1 #186 ICSD_189092 binary_carbide_ICSD_frequency=1 1231.AB/BA hP4 P6_{3}/mmc C1Nb1 #194 ICSD_189093 binary_carbide_ICSD_frequency=1 1232.AB/BA hP4 P6_{3}/mmc C1Os1 #194 ICSD_168278 binary_carbide_ICSD_frequency=1 1233.AB/BA hR4 R-3m C1Ru1 #166 ICSD_188285 binary_carbide_ICSD_frequency=1 1234.AB/BA hP4 P6_{3}/mmc C1Sc1 #194 ICSD_189088 binary_carbide_ICSD_frequency=1 1235.AB hP4 P6_{3}mc C1Si1 #186 ICSD_24261 binary_carbide_ICSD_frequency=1 1236.AB/BA tI10 I4/m C1Fe4 #87 ICSD_187144 binary_carbide_ICSD_frequency=1 1237.AB/BA cP5 P-43m C1Fe4 #215 ICSD_44729 binary_carbide_ICSD_frequency=1 1238.AB/BA oI12 Imm2 B1C5 #44 ICSD_166554 binary_carbide_ICSD_frequency=1 1239.AB/BA hP6 P3m1 B1C5 #156 ICSD_166555 binary_carbide_ICSD_frequency=1 1240.AB/BA oP6 Pnnm C1Co2 #58 ICSD_617391 binary_carbide_ICSD_frequency=1 1241.AB/BA hP3 P6/mmm C1Fe2 #191 ICSD_162103 binary_carbide_ICSD_frequency=1 1242.AB/BA oP6 Pnnm C1Fe2 #58 ICSD_76826 binary_carbide_ICSD_frequency=2 1243.AB/BA hP6 P6_{3}/mmc C1Re2 #194 ICSD_180376 binary_carbide_ICSD_frequency=1 1244.AB/BA mS12 C2/m C2Ca1 #12 ICSD_54185 binary_carbide_ICSD_frequency=1 1245.AB/BA mS12 C2/m C2Ca1 #12 ICSD_54188 binary_carbide_ICSD_frequency=1 1246.AB/BA mS12 C2/m C2Ir1 #12 ICSD_181488 binary_carbide_ICSD_frequency=1 1247.AB/BA tI12 I4/mcm C2Ir1 #140 ICSD_181489 binary_carbide_ICSD_frequency=1 1248.AB/BA tP6 P4_{2}/mnm C2Mg1 #136 ICSD_88057 binary_carbide_ICSD_frequency=1 1249.AB/BA hP6 P6_{3}/mmc C2Re1 #194 ICSD_184660 binary_carbide_ICSD_frequency=1 1250.AB/BA tP6 P4_{2}/mmc C2Si1 #131 ICSD_187721 binary_carbide_ICSD_frequency=1 1251.AB/BA mS12 C2/c C2Th1 #15 ICSD_202306 binary_carbide_ICSD_frequency=1 1252.AB/BA mS12 C2/c C2Th1 #15 ICSD_26568 binary_carbide_ICSD_frequency=1 1253.AB/BA tP6 P4_{2}/mmc C2Th1 #131 ICSD_77469 binary_carbide_ICSD_frequency=1 1254.AB/BA hR7 R3m Al4C3 #160 ICSD_14397 binary_carbide_ICSD_frequency=1 1255.AB/BA cP7 P-43m As4C3 #215 ICSD_163831 binary_carbide_ICSD_frequency=1 1256.AB/BA cP7 Pm-3m C3Nb4 #221 ICSD_42758 binary_carbide_ICSD_frequency=1 1257.AB/BA tP8 P-4m2 B1C7 #115 ICSD_181952 binary_carbide_ICSD_frequency=1 1258.AB/BA hP8 P3m1 B1C7 #156 ICSD_181953 binary_carbide_ICSD_frequency=1 1259.AB/BA cP8 P-43m B1C7 #215 ICSD_181954 binary_carbide_ICSD_frequency=1 1260.AB/BA oP8 Pmm2 B1C7 #25 ICSD_181955 binary_carbide_ICSD_frequency=1 1261.AB/BA hR8 R3m B1C7 #160 ICSD_181956 binary_carbide_ICSD_frequency=1 1262.AB/BA hP8 P6_{3}22 C1Fe3 #182 ICSD_163151 binary_carbide_ICSD_frequency=1 1263.AB/BA hP8 P6_{3}22 C1Fe3 #182 ICSD_42542 binary_carbide_ICSD_frequency=1 1264.AB/BA hP8 P6_{3}/mmc C1Mo1 #194 ICSD_618298 binary_carbide_ICSD_frequency=1 1265.AB/BA hR8 R-3c C1Ni3 #167 ICSD_17005 binary_carbide_ICSD_frequency=1 1266.AB/BA cP8 P2_{1}3 C1Os1 #198 ICSD_168277 binary_carbide_ICSD_frequency=1 1267.AB/BA hP8 P6_{3}/mmc C1Re1 #194 ICSD_618702 binary_carbide_ICSD_frequency=1 1268.AB hP8 P6_{3}mc C1Si1 #186 ICSD_24170 binary_carbide_ICSD_frequency=1 1269.AB/BA hP9 P-31m C1W2 #162 ICSD_162419 binary_carbide_ICSD_frequency=1 1270.AB/BA hP9 P6/mmm C8Cs1 #191 ICSD_74641 binary_carbide_ICSD_frequency=1 1271.AB/BA mP10 P2_{1}/m C1Fe4 #11 ICSD_187143 binary_carbide_ICSD_frequency=1 1272.AB hP10 P3m1 C1Si1 #156 ICSD_107204 binary_carbide_ICSD_frequency=1 1273.AB hR10 R3m C1Si1 #160 ICSD_24168 binary_carbide_ICSD_frequency=1 1274.AB/BA oS20 Cmcm C2Cr3 #63 ICSD_57009 binary_carbide_ICSD_frequency=1 1275.AB/BA oP10 Pnnm C3Mg2 #58 ICSD_71941 binary_carbide_ICSD_frequency=1 1276.AB/BA mP10 P2_{1}/c C4Ir1 #14 ICSD_181493 binary_carbide_ICSD_frequency=1 1277.AB/BA oS20 Ccce C4Ir1 #68 ICSD_181496 binary_carbide_ICSD_frequency=1 1278.AB/BA tP10 P4/nbm C4Ir1 #125 ICSD_181497 binary_carbide_ICSD_frequency=1 1279.AB/BA mS22 C2/m C5Nb6 #12 ICSD_20695 binary_carbide_ICSD_frequency=1 1280.AB/BA tI12 I-4m2 B1C5 #119 ICSD_166553 binary_carbide_ICSD_frequency=1 1281.AB/BA aP12 P-1 B1C5 #2 ICSD_166556 binary_carbide_ICSD_frequency=1 1282.AB/BA oP12 Pnma C1Fe2 #62 ICSD_187138 binary_carbide_ICSD_frequency=1 1283.AB/BA hP12 P6_{3}/mmc C1Mo1 #194 ICSD_44987 binary_carbide_ICSD_frequency=1 1284.AB/BA oP12 Pbcn C1Mo2 #60 ICSD_43322 binary_carbide_ICSD_frequency=1 1285.AB/BA oP12 Pnma C1Nb2 #62 ICSD_31973 binary_carbide_ICSD_frequency=1 1286.AB/BA oP12 Pmma C1Nb2 #51 ICSD_653912 binary_carbide_ICSD_frequency=1 1287.AB hP12 P6_{3}mc C1Si1 #186 ICSD_15325 binary_carbide_ICSD_frequency=1 1288.AB/BA cF48 Fd-3m C1Ti2 #227 ICSD_77473 binary_carbide_ICSD_frequency=1 1289.AB/BA mP12 P2_{1}/c C2Ca1 #14 ICSD_24074 binary_carbide_ICSD_frequency=1 1290.AB/BA cP12 Pn-3m C2Ca1 #224 ICSD_31092 binary_carbide_ICSD_frequency=1 1291.AB/BA aP12 P-1 C2Ca1 #2 ICSD_66663 binary_carbide_ICSD_frequency=1 1292.AB/BA hP12 P-62m C2Cs2 #189 ICSD_51533 binary_carbide_ICSD_frequency=1 1293.AB/BA cP12 P4_{3}32 C2Na1 #212 ICSD_186177 binary_carbide_ICSD_frequency=1 1294.AB/BA hR13 R-3m C5Ti8 #166 ICSD_20822 binary_carbide_ICSD_frequency=1 1295.AB hR14 R3m C1Si1 #160 ICSD_42513 binary_carbide_ICSD_frequency=1 1296.AB/BA mS28 C2/c C2Fe5 #15 ICSD_423885 binary_carbide_ICSD_frequency=1 1297.AB/BA mS28 C2/c C2Fe5 #15 ICSD_43194 binary_carbide_ICSD_frequency=1 1298.AB/BA mS28 C2/c C2Fe5 #15 ICSD_89328 binary_carbide_ICSD_frequency=1 1299.AB/BA mS28 C2/c C2Mn5 #15 ICSD_618246 binary_carbide_ICSD_frequency=1 1300.AB/BA mS28 C2/c C2Mn5 #15 ICSD_69535 binary_carbide_ICSD_frequency=1 1301.AB/BA cI28 I-43d C3Sc4 #220 ICSD_42760 binary_carbide_ICSD_frequency=1 1302.AB/BA hP14 P6_{3}/mmc C6Eu1 #194 ICSD_169041 binary_carbide_ICSD_frequency=1 1303.AB/BA hP14 P6_{3}/mmc C6Yb1 #194 ICSD_601565 binary_carbide_ICSD_frequency=1 1304.AB/BA hR15 R-3m B13C2 #166 ICSD_446 binary_carbide_ICSD_frequency=1 1305.AB/BA hR15 R-3m B4C1 #166 ICSD_29093 binary_carbide_ICSD_frequency=1 1306.AB/BA oP16 Pnma C1Cr3 #62 ICSD_617486 binary_carbide_ICSD_frequency=1 1307.AB/BA oP16 Pnma C1Fe3 #62 ICSD_167667 binary_carbide_ICSD_frequency=1 1308.AB/BA tI32 I-4 C1Fe3 #82 ICSD_187142 binary_carbide_ICSD_frequency=1 1309.AB/BA oP16 Pnma C1Fe3 #62 ICSD_99010 binary_carbide_ICSD_frequency=1 1310.AB hR16 R3m C1Si1 #160 ICSD_18136 binary_carbide_ICSD_frequency=1 1311.AB hP16 P6_{3}mc C1Si1 #186 ICSD_24630 binary_carbide_ICSD_frequency=1 1312.AB/BA cF64 Fd-3m C1Ti1 #227 ICSD_618950 binary_carbide_ICSD_frequency=1 1313.AB/BA oP16 Pnma C2Cs2 #62 ICSD_51531 binary_carbide_ICSD_frequency=1 1314.AB/BA tI32 I4_{1}/acd C2K2 #142 ICSD_36142 binary_carbide_ICSD_frequency=1 1315.AB/BA tI32 I4_{1}/acd C2Na2 #142 ICSD_28066 binary_carbide_ICSD_frequency=1 1316.AB/BA oP16 Pnma C3Ir1 #62 ICSD_181492 binary_carbide_ICSD_frequency=1 1317.AB/BA oP16 Pbam C3Ir5 #55 ICSD_181485 binary_carbide_ICSD_frequency=1 1318.AB hR18 R3m C1Si1 #160 ICSD_24631 binary_carbide_ICSD_frequency=1 1319.AB/BA oF72 Fddd C8K1 #70 ICSD_70020 binary_carbide_ICSD_frequency=1 1320.AB/BA oF72 Fddd C8Rb1 #70 ICSD_200563 binary_carbide_ICSD_frequency=1 1321.AB hP20 P3m1 C1Si1 #156 ICSD_38150 binary_carbide_ICSD_frequency=1 1322.AB/BA oP20 Pnma C2Cr3 #62 ICSD_15086 binary_carbide_ICSD_frequency=1 1323.AB/BA oP20 Pnma C2Cr3 #62 ICSD_653958 binary_carbide_ICSD_frequency=1 1324.AB/BA hP20 P6_{3}mc C3Fe7 #186 ICSD_76830 binary_carbide_ICSD_frequency=1 1325.AB/BA tP20 P-4c2 C3Os2 #116 ICSD_168275 binary_carbide_ICSD_frequency=1 1326.AB/BA oS40 P6_{3}/mmc C4Ir1 #194 ICSD_181498 binary_carbide_ICSD_frequency=1 1327.AB/BA cI40 Im-3m C7Ir3 #229 ICSD_181491 binary_carbide_ICSD_frequency=1 1328.AB/BA mP22 P2_{1}/c C7Lu4 #14 ICSD_83382 binary_carbide_ICSD_frequency=1 1329.AB/BA oP24 Pnma Ba1C2 #62 ICSD_168408 binary_carbide_ICSD_frequency=1 1330.AB/BA cF112 Fd-3m C1Mn6 #227 ICSD_187037 binary_carbide_ICSD_frequency=1 1331.AB hP28 P3m1 C1Si1 #156 ICSD_28303 binary_carbide_ICSD_frequency=1 1332.AB/BA cF116 Fm-3m C6Mn23 #225 ICSD_154720 binary_carbide_ICSD_frequency=1 1333.AB hP32 P6_{3}mc C1Si1 #186 ICSD_42858 binary_carbide_ICSD_frequency=1 1334.AB/BA tI64 I4_{1}/acd C2K2 #142 ICSD_89528 binary_carbide_ICSD_frequency=1 1335.AB/BA hP33 P3_{1}12 C5V6 #151 ICSD_71098 binary_carbide_ICSD_frequency=1 1336.AB hP36 P3m1 C1Si1 #156 ICSD_42859 binary_carbide_ICSD_frequency=1 1337.AB/BA tP36 P-4c2 C5Ir4 #116 ICSD_181486 binary_carbide_ICSD_frequency=1 1338.AB hP38 P3m1 C1Si1 #156 ICSD_27635 binary_carbide_ICSD_frequency=1 1339.AB/BA oP40 Pbcn C3Os2 #60 ICSD_168276 binary_carbide_ICSD_frequency=1 1340.AB hP42 P3m1 C1Si1 #156 ICSD_43827 binary_carbide_ICSD_frequency=1 1341.AB/BA mP44 P2_{1}/c C7Ho4 #14 ICSD_74817 binary_carbide_ICSD_frequency=1 1342.AB/BA cP60 P4_{3}32 C0.88V1 #212 ICSD_60191 binary_carbide_ICSD_frequency=1 1343.AB/BA cP60 P4_{3}32 C7V8 #212 ICSD_22177 binary_carbide_ICSD_frequency=1 1344.AB/BA cP60 P4_{3}32 C7V8 #212 ICSD_43259 binary_carbide_ICSD_frequency=1 1345.AB/BA cP60 P4_{3}32 C7V8 #212 ICSD_85953 binary_carbide_ICSD_frequency=1 1346.AB/BA tP68 P-42_{1}c C19Er15 #114 ICSD_76817 binary_carbide_ICSD_frequency=3 1347.AB/BA cP126 Pm-3n Ba3C60 #223 ICSD_70063 binary_carbide_ICSD_frequency=1 1348.AB/BA cP126 Pm-3 C60Sr3 #200 ICSD_75354 binary_carbide_ICSD_frequency=1 *** TERNARIES T0001.A2BC/AB2C/ABC2 cF16 Fm(-3)m AlCu2Mn-Heusler #225 Navy [Wyckoff A~C, 3 protos] [all --aflow_proto T0001 A B C] T0001[-tet[+,-]*%].A2BC/AB2C/ABC2 cF16 Fm(-3)m AlCu2Mn-Heusler-tet*% #225 Navy [Wyckoff A~C, 3 protos] [all --aflow_proto T0001 A B C] TET distorted along z +-*% T0002.A2BC/AB2C/ABC2 cF16 F-43m Cu1Li2Sn1-antiHeusler #216 ICSD_15130 [Wyckoff A~C, 3 protos] T0002[-tet[+,-]*%].A2BC/AB2C/ABC2 cF16 F-43m Cu1Li2Sn1-antiHeusler-tet*% #216 ICSD_15130 [Wyckoff A~C, 3 protos] T0001.{ABC} cF16 Fm(-3)m AlCu2Mn-Heusler #225 Navy [Wyckoff A~C, 3 protos] [all --aflow_proto T0001 A B C ] T0001[-tet[+,-]*%].{ABC} cF16 Fm(-3)m AlCu2Mn-Heusler-tet*% #225 Navy [Wyckoff A~C, 3 protos] [all --aflow_proto T0001 A B C ] TET distorted along Z T0002.{ABC} cF16 F-43m Cu1Li2Sn1-antiHeusler #216 ICSD_15130 [Wyckoff A~C, 3 protos] T0002[-tet[+,-]*%].{ABC} cF16 F-43m Cu1Li2Sn1-antiHeusler-tet*% #216 ICSD_15130 [Wyckoff A~C, 3 protos] TET distorted along Z T0003.{ABC} cF12 F-43m AgAsMg-halfHeusler C1b #216 ICSD_43819 T0003[-tet[+,-]*%].{ABC} cF12 F-43m AgAsMg-halfHeusler-tet*% C1b #216 ICSD_43819 TET distorted along Z T0004.{ABC} oP12 Pnma Co1Ge1Mn1_ICSD_52968 #62 ICSD_52968 T0005.{ABC} hP6 P63/mmc Co1Ge1Mn1_ICSD_623495 #194 ICSD_623495 T0006.{ABC} hP12 P63/mmc Co3Ge1Mn2_ICSD_52972 #194 ICSD_52972 T0007.{ABC} oP12 Pnma Cl1La1Se1_ICSD_425686 #62 ICSD_425686 T0008.{ABC} oP12 Pnma Cd1Na1P1 Co2Si1_ICSD_44858 #62 ICSD_44858 T0009.{ABC} cP5 Pm-3m perovskite #221 T0010.{ABC} cF24 F-43m Cu4MgSn C15b #216 ICSD_108141 T0011.{ABC} tI10 I4/mmm As2Ce1Pd2 #139 ICSD_604354 *** TERNARY SQS TS001.ABC/BCA/CBA oS64 Cmma SQS_L12 #67 SQS_L12 *** TERNARY FCC TFCC001.ABC hP3 P3m1 ternary_fcc_1 #156 3cell TFCC002.ABC oI6 Imm2 ternary_fcc_2 #44 3cell TFCC003.ABC tI6 I4mm ternary_fcc_3 #107 3cell TFCC004.ABC/BCA/CAB hR4 R3m ternary_fcc_4 #160 4cell TFCC005.ABC/BCA/CAB oP4 Pmm2 ternary_fcc_5 #25 4cell TFCC006.ABC/BCA/CAB mS8 Cm ternary_fcc_6 #8 4cell TFCC007.ABC/BCA/CAB tP4 P4mm ternary_fcc_7 #99 4cell TFCC008.ABC/BCA/CAB tI8 I-4m2 ternary_fcc_8 #119 4cell TFCC009.ABC/BCA/CAB hR4 R-3m ternary_fcc_9 #166 4cell TFCC010.ABC/BCA/CAB oP4 Pmmm ternary_fcc_10 #47 4cell TFCC011.ABC/BCA/CAB mS8 C2/m ternary_fcc_11 #12 4cell TFCC012.ABC/BCA/CAB tP4 P4/mmm ternary_fcc_12 #123 4cell TFCC013.ABC/BCA/CAB tI8 I4/mmm ternary_fcc_13 #139 4cell TFCC014.ABC/BCA/CAB mP4 P2/m ternary_fcc_14 #10 4cell TFCC015.ABC/BCA/CAB oS8 Cmmm ternary_fcc_15 #65 4cell TFCC016.ABC/BCA/CAB tP4 P4/mmm ternary_fcc_16 #123 4cell *** TERNARY BCC TBCC001.ABC oF12 Fmm2 ternary_bcc_1 #42 3cell TBCC002.ABC hP3 P3m1 ternary_bcc_2 #156 3cell TBCC003.ABC tI6 I4mm ternary_bcc_3 #107 3cell TBCC004.ABC/BCA/CAB oS8 Cmm2 ternary_bcc_4 #35 4cell TBCC005.ABC/BCA/CAB mP4 Pm ternary_bcc_5 #6 4cell TBCC006.ABC/BCA/CAB tP4 P4mm ternary_bcc_6 #99 4cell TBCC007.ABC/BCA/CAB oI8 Imm2 ternary_bcc_7 #44 4cell TBCC008.ABC/BCA/CAB cF16 F-43m ternary_bcc_8 #216 4cell same as T0002 (anti-Heusler) TBCC009.ABC/BCA/CAB oS8 Cmmm ternary_bcc_9 #65 4cell TBCC010.ABC/BCA/CAB mP4 P2/m ternary_bcc_10 #10 4cell TBCC011.ABC/BCA/CAB tP4 P4/mmm ternary_bcc_11 #123 4cell TBCC012.ABC/BCA/CAB oI8 Cmmm ternary_bcc_12 #65 4cell TBCC013.ABC/BCA/CAB cF16 Fm-3m ternary_bcc_13 #225 4cell same as T0001 (Heusler) TBCC014.ABC/BCA/CAB mS8 C2/m ternary_bcc_14 #12 4cell TBCC015.ABC/BCA/CAB oP4 Pmmm ternary_bcc_15 #47 4cell TBCC016.ABC/BCA/CAB tP4 P4/mmm ternary_bcc_16 #123 4cell *** QUATERNARY Q0001.{ABCD} cF40 Fm(-3)m Al1F6K2Na1_ICSD_6027 #225 ICSD_6027 Elpasolite [Wyckoff all distinct, 24 protos] ***************************************************************************************************************************************************** ***************************************************************************************************************************************************** ANRL PROTOTYPES ***************************************************************************************************************************************************** ANRL - UNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes (part) ---------------------------------------------------------------------------------------------------------------------------------------------------- A_aP4_2_aci-001 aP4 P-1 - Cf #2 Cf (part 1) A_mP4_4_2a-001 mP4 P2_{1} - Te #4 High-Pressure Te (part 1) A_mC12_5_3c-001 mC12 C2 A19 Po #5 Po (part 1) A_mP8_10_2m2n-001 mP8 P2/m - C #10 S-carbon (part 2) A_mP16_11_8e-001 mP16 P2_{1}/m - alpha-Pu #11 alpha-Pu (part 1) A_mC16_12_4i-001 mC16 C2/m - C #12 M-carbon (part 2) A_mC34_12_ah3i2j-001 mC34 C2/m - beta-Pu #12 beta-Pu (part 1) A_mC4_12_i-001 mC4 C2/m - O2 #12 alpha-O2 (part 1) A_mP84_13_21g-001 mP84 P2/c - P #13 Monoclinic Phosphorus (part 1) A_mP32_14_8e-001 mP32 P2_{1}/c A_l Se #14 betaSe (part 1) A_mP64_14_16e-001 mP64 P2_{1}/c A_k Se #14 Se (part 1) A_mC24_15_2e2f-001 mC24 C2/c - H #15 H-III (part 2) A_oP16_55_2g2h-001 oP16 Pbam - C #55 R-carbon (part 2) A_oP8_62_2c-001 oP8 Pnma A_c alpha-Np #62 alpha-Np (part 1) A_oC4_63_c-001 oC4 Cmcm A20 alpha-U #63 alpha-Uranium (part 1) A_oC8_64_f-001 oC8 Cmce A11 alpha-Ga #64 alpha-Gallium (part 1) A_oC8_64_f-002 oC8 Cmce A17 P #64 Black Phosphorus (part 1) A_oC8_64_f-003 oC8 Cmce A14 I2 #64 Molecular Iodine (part 1) A_oF128_70_4h-001 oF128 Fddd A16 S #70 alpha-Sulfur (part 1) A_oF8_70_a-001 oF8 Fddd - gamma-Pu #70 gamma-Pu (part 1) A_tP12_96_ab-001 tP12 P4_{3}2_{1}2 - Si #96 "ST12" of Si (part 1) A_tP4_129_ac-001 tP4 P4/nmm A_d beta-Np #129 beta-Np (part 1) A_tP50_134_b2m2n-001 tP50 P4_{2}/nnm A_g B #134 T-50 Boron (part 1) A_tP30_136_bf2ij-001 tP30 P4_{2}/mnm A_b beta-U #136 beta-U (part 1) A_tP4_136_f-001 tP4 P4_{2}/mnm - N2 #136 gamma-N2 (part 1) sigma_tP30_136_bf2ij-001 tP30 P4_{2}/mnm D8_b CrFe #136 sigma-CrFe (part 1) A_tP12_138_bi-001 tP12 P4_{2}/ncm - C #138 C (part 2) A_tP16_138_j-001 tP16 P4_{2}/ncm A18 Cl2 #138 Cl2 (part 1) A_tI2_139_a-001 tI2 I4/mmm A6 In #139 In (part 1) A_tI2_139_a-002 tI2 I4/mmm A_a Pa #139 alpha-Pa (part 1) A_tI4_139_e-001 tI4 I4/mmm - Si #139 Hypothetical BCT5 Si (part 1) A_tI8_139_h-001 tI8 I4/mmm - C #139 Hypothetical Tetrahedrally Bonded Carbon with 4-Member Rings (part 1) A_tI4_141_a-001 tI4 I4_{1}/amd A5 Sn #141 betaSn (part 1) A_tI16_142_f-001 tI16 I4_{1}/acd - S #142 S-III (part 2) A_hP3_152_a-001 hP3 P3_{1}21 A8 Se #152 gammaSe (part 1) A_hP9_154_bc-001 hP9 P3_{2}21 - S #154 S-II (part 2) A_hR105_166_bc9h4i-001 hR105 R-3m - B #166 beta-Boron (part 1) A_hR12_166_2h-001 hR12 R-3m - B #166 alpha-Boron (part 1) A_hR1_166_a-001 hR1 R-3m A_i Po #166 beta-Po (part 1) A_hR1_166_a-002 hR1 R-3m A10 Hg #166 alpha-Hg (part 1) A_hR2_166_c-001 hR2 R-3m A7 As #166 alpha-As (part 1) A_hR2_166_c-002 hR2 R-3m - C #166 Rhombohedral Graphite (part 1) A_hR2_166_c-003 hR2 R-3m - O2 #166 beta-O2 (part 1) A_hR3_166_ac-001 hR3 R-3m C19 Sm #166 alpha-Sm (part 1) A_hP6_178_a-001 hP6 P6_{1}22 - Sc #178 Sc-V (part 2) A_hP4_186_ab-001 hP4 P6_{3}mc - C #186 Buckled Graphite (part 1) A_hP1_191_a-001 hP1 P6/mmm A_f gamma-HgSn6-10 #191 Simple Hexagonal Lattice (part 1) A_hP2_194_c-001 hP2 P6_{3}/mmc A3 Mg #194 Hexagonal Close Packed (part 1) A_hP4_194_ac-001 hP4 P6_{3}/mmc A3' La #194 alpha-La (part 1) A_hP4_194_bc-001 hP4 P6_{3}/mmc A9 C #194 Hexagonal Graphite structure (part 1) A_hP4_194_f-001 hP4 P6_{3}/mmc - C #194 Lonsdaleite (part 1) A_hP6_194_h-001 hP6 P6_{3}/mmc - C #194 Hypothetical Tetrahedrally Bonded Carbon with 3-Member Rings (part 1) A_cP8_198_2a-001 cP8 P2_{1}3 - N2 #198 alpha-N2 (part 1) A_cF240_202_h2i-001 cF240 Fm-3 - C #202 FCC C60 Buckminsterfullerine (part 2) A_cP240_205_10d-001 cP240 Pa-3 - C #205 Simple Cubic C60 Buckminsterfullerine (part 2) A_cP8_205_c-001 cP8 Pa-3 - N2 #205 alpha-N2 (part 1) A_cI16_206_c-001 cI16 Ia-3 - Si #206 BC8 (part 1) A_cP20_213_cd-001 cP20 P4_{1}32 A13 Mn #213 beta-Mn (part 1) A_cI58_217_ac2g-001 cI58 I-43m A12 Mn #217 alpha-Mn (part 1) A_cI16_220_c-001 cI16 I-43d - Li #220 High Pressure cI16 Li (part 1) A_cP1_221_a cP1 Pm-3m A_h Po #221 alpha-Po (part 1) A_cP46_223_dik-001 cP46 Pm-3n - Si #223 Si46 Clathrate (part 1) A_cF4_225_a cF4 Fm-3m A1 Cu #225 Face-Centered Cubic (part 1), equivalent to 1,2,1.cub,2.cub [HTQC] A_cF136_227_aeg-001 cF136 Fd-3m - Si #227 Si34 Clathrate (part 1) A_cF8_227_a cF8 Fd-3m A4 C #227 Diamond (part 1) A_cI2_229_a cI2 Im-3m A2 W #229 Body-Centered Cubic (part 1) ***************************************************************************************************************************************************** ANRL - BINARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes (part) ---------------------------------------------------------------------------------------------------------------------------------------------------- AB2_aP12_1_4a_8a-001.{AB} aP12 P1 - FeS2 #1 FeS2 (part 1) A2B_aP6_2_2i_i-001.{AB} aP6 P-1 - P2I4 #2 P2I4 (part 1) A2B_aP6_2_aei_i-001.{AB} aP6 P-1 - H2S #2 H2S (part 2) A2B_mP12_3_bc3e_2e-001.{AB} mP12 P2 - SiO2 #3 SiO2 (part 1) A8B5_mP13_6_a7b_3a2b-001.{AB} mP13 Pm - Mo8P5 #6 Mo8P5 (part 2) AB_mP4_6_2b_2a-001.AB mP4 Pm - FeNi #6 FeNi (part 2) A2B_mP12_7_4a_2a-001.{AB} mP12 Pc - H2S #7 H2S IV (part 2) A2B_mP18_7_6a_3a-001.{AB} mP18 Pc - As2Ba #7 As2Ba (part 2) A3B_mP16_7_6a_2a-001.{AB} mP16 Pc - epsilon-WO3 #7 epsilon-WO3 (part 2) A9B2_mP22_7_9a_2a-001.{AB} mP22 Pc - Rh2Ga9 #7 Rh2Ga9 (part 2) A2B_mC144_9_24a_12a-001.{AB} mC144 Cc - SiO2 #9 Monoclinic Low Tridymite (part 1) A5B3_mC32_9_5a_3a-001.{AB} mC32 Cc - alpha-P3N5 #9 alpha-P3N5 (part 2) AB3_mC16_9_a_3a-001.{AB} mC16 Cc - H3Cl #9 H3Cl (part 2) A2B_mP6_10_mn_bg-001.{AB} mP6 P2/m - delta-PdCl2 #10 delta-PdCl2 (part 2) AB3_mP16_10_mn_3m3n-001.{AB} mP16 P2/m - H3Cl #10 H3Cl (part 2) AB_mP6_10_en_am-001.AB mP6 P2/m - LiSn #10 LiSn (part 2) AB_mP4_11_e_e-001.{AB} mP4 P2_{1}/m - NiTi #11 NiTi2 (part 1) A5B2_mC14_12_a2i_i-001.{AB} mC14 C2/m - Au5Mn2 #12 Au5Mn2 (part 1) AB2_mC6_12_a_i-001.{AB} mC6 C2/m C34 AuTe2 #12 Calaverite (part 1) AB3_mC16_12_g_ij-001.{AB} mC16 C2/m D0_15 AlCl3 #12 AlCl3 (part 1) A2B_mP12_13_2g_ef-001.{AB} mP12 P2/c - H2S #13 H2S (part 2) A2B_mP12_14_2e_e-001.{AB} mP12 P2_{1}/c C43 ZrO2 #14 Baddeleyite (part 1) A2B_mP12_14_2e_e-002.{AB} mP12 P2_{1}/c - O2W #14 O2W binary oxide (R. Friedrich), ICSD #8217 A2B_mP12_14_2e_e-003.{AB} mP12 P2_{1}/c - O2V #14 O2V binary oxide (R. Friedrich), ICSD #647610 A2B_mP6_14_e_a-001.{AB} mP6 P2_{1}/c - gamma-PdCl2 #14 gamma-PdCl2 (part 2) A7B8_mP120_14_14e_16e-001.{AB} mP120 P2_{1}/c - alpha-C7H8 #14 alpha-Toluene (part 2) A2B5_mC28_15_f_e2f-001.{AB} mC28 C2/c - B2Pd5 #15 B2Pd5 (part 1) A2B5_mC28_15_f_e2f-002.{AB} mC28 C2/c - O5Sb2 #15 O5Sb2 binary oxide (R. Friedrich), ICSD #1422 A2B_mC48_15_ae3f_2f-001.{AB} mC48 C2/c - SiO2 #15 Coesite (part 1) AB3_mC16_15_e_cf-001.{AB} mC16 C2/c - H3Cl #15 H3Cl (part 2) AB_mC8_15_c_e-001.{AB} mC8 C2/c B26 CuO #15 Tenorite (part 1) A2B_oP12_17_abe_e-001.{AB} oP12 P222_{1} - alpha-Ag2Se #17 alpha-Naumannite (part 2) AB3_oP16_18_ab_3c-001.{AB} oP16 P2_{1}2_{1}2 D0_{17} BaS3 #18 BaS3 (part 1) A2B_oP12_19_2a_a-001.{AB} oP12 P2_{1}2_{1}2_{1} - Ag2Se #19 Naumannite (part 1) AB3_oP16_19_a_3a-001.{AB} oP16 P2_{1}2_{1}2_{1} - H3Cl #19 H3Cl (part 2) A2B_oC24_20_abc_c-001.{AB} oC24 C222_{1} - SiO2 #20 Orthorhombic Tridymite (part 1) AB2_oC6_21_a_k-001.{AB} oC6 C222 - Ta2H #21 Ta2H (part 2) AB_oF8_22_a_c-001.AB oF8 F222 - FeS #22 FeS (part 2) A3B_oI32_23_ij2k_k-001.{AB} oI32 I222 - H3S #23 H3S (part 2) AB_oP2_25_b_a-001.AB oP2 Pmm2 - CdTe #25 High-Pressure CdTe (part 1) A2B_oP12_26_abc_ab-001.{AB} oP12 Pmc2_{1} - H2S #26 H2S (part 2) A2B_oP12_26_abc_ab-002.{AB} oP12 Pmc2_{1} - beta-SeO2 #26 beta-SeO2 (part 2) A5B_oP24_26_3a3b2c_ab-001.{AB} oP24 Pmc2_{1} - TlP5 #26 TlP5 (part 2) AB2_oP24_28_acd_2c3d-001.{AB} oP24 Pma2 C46 AuTe2 #28 Krennerite (part 1) A2B_oP12_29_2a_a-001.{AB} oP12 Pca2_{1} - ZrO2 #29 ZrO2 (part 2) AB2_oP12_29_a_2a-001.{AB} oP12 Pca2_{1} - FeS2 #29 Pyrite (part 2) A2B3_oP40_33_4a_6a-001.{AB} oP40 Pna2_{1} - kappa-Al2O3 #33 kappa-alumina (part 2) AB_oP8_33_a_a-001.{AB} oP8 Pna2_{1} - CoAs #33 Modderite (part 1) AB2_oP6_34_a_c-001.{AB} oP6 Pnn2 - FeSb2 #34 FeSb2 (part 2) A2B_oC12_36_2a_a-001.{AB} oC12 Cmc2_{1} C24 HgBr2 #36 HgBr2 (part 1) AB_oC8_36_a_a-001.{AB} oC8 Cmc2_{1} - HCl #36 HCl (part 2) A2B_oC12_38_de_ab-001.{AB} oC12 Amm2 - Au2V #38 Au2V (part 1) A2B3_oC40_39_2d_2c2d-001.{AB} oC40 Aem2 - Ta3S2 #39 Ta3S2 (part 2) AB3_oC16_40_b_3b-001.{AB} oC16 Ama2 - CeTe3 #40 CeTe3 (part 2) AB2_oC24_41_2a_2b-001.{AB} oC24 Aea2 C_e PdSn2 #41 PdSn2 (part 1) AB4_oC20_41_a_2b-001.{AB} oC20 Aea2 D1_c PtSn4 #41 PtSn4 (part 1) A10B3_oF52_42_2abce_ab-001.{AB} oF52 Fmm2 - W3O10 #42 W3O10 (part 2) AB_oF8_42_a_a-001.AB oF8 Fmm2 - BN #42 BN (part 2) AB2_oF72_43_ab_3b-001.{AB} oF72 Fdd2 C44 GeS2 #43 GeS2 (part 1) AB_oI4_44_a_b-001.AB oI4 Imm2 - AsGa #44 High-pressure GaAs (part 1) A5B2_oP14_49_dehq_ab-001.{AB} oP14 Pccm - beta-Ta2O5 #49 beta-Ta2O5 (part 2) AB_oP4_51_e_f-001.AB oP4 Pmma B19 AuCd #51 beta'-AuCd (part 1) A2B_oP24_52_2e_cd-001.{AB} oP24 Pnna - GaCl2 #52 GaCl2 (part 2) A3B2_oP20_52_de_cd-001.{AB} oP20 Pnna - Sr2Bi3 #52 Sr2Bi3 (part 2) A2B_oP24_55_2g2h_gh-001.{AB} oP24 Pbam - GeAs2 #55 GeAs2 (part 2) A3B5_oP16_55_ch_agh-001.{AB} oP16 Pbam - Rh5Ge3 #55 Rh5Ge3 (part 2) A3B2_oP20_56_ce_e-001.{AB} oP20 Pccn D5_11 Sb2O3 #56 Sb2O3 (part 1) AB_oP8_57_d_d-001.{AB} oP8 Pbcm - TlF #57 TlF-II, 57 (part 1) A2B_oP6_58_g_a-001.{AB} oP6 Pnnm C50 alpha-PdCl2 #58 alpha-PdCl2 (part 2) AB2_oP6_58_a_g-001.{AB} oP6 Pnnm C35 CaCl2 #58 Hydrophilite (part 1) AB2_oP6_58_a_g-002.{AB} oP6 Pnnm - etaFe2C #58 eta-Fe2C (part 1) AB2_oP6_58_a_g-003.{AB} oP6 Pnnm C18 FeS2 #58 Marcasite (part 1) A3B_oP8_59_bf_a-001.{AB} oP8 Pmmn D0_a TiCu3 #59 betaTiCu3 (part 1) AB_oP4_59_a_b-001.{AB} oP4 Pmmn - CuTe #59 Vulcanite (part 1) A2B3_oP20_60_d_cd-001.{AB} oP20 Pbcn - Rh2S3 #60 Rh2S3 (part 2) A3B_oP32_60_3d_d-001.{AB} oP32 Pbcn - WO3 #60 WO3 (part 2) A7B8_oP120_60_7d_8d-001.{AB} oP120 Pbcn - beta-C7H8 #60 beta-Toluene (part 2) A2B_oP24_61_2c_c-001.{AB} oP24 Pbca C21 TiO2 #61 Brookite (part 1) AB_oP16_61_c_c-001.{AB} oP16 Pbca B_e CdSb #61 CdSb (part 1) AB_oP48_61_3c_3c-001.{AB} oP48 Pbca - Benzene #61 Benzene (part 2) A2B3_oP20_62_2c_3c-001.{AB} oP20 Pnma D5_{10} Cr3C2 #62 Tongbaite (part 2) A2B_oP12_62_2c_c-001.{AB} oP12 Pnma C37 Co2Si #62 Co2Si (part 1) A2B_oP12_62_2c_c-002.{AB} oP12 Pnma C25 HgCl2 #62 HgCl2 (part 1) A2B_oP12_62_2c_c-003.{AB} oP12 Pnma C23 PbCl2 #62 Cotunnite (part 1) A2B_oP12_62_2c_c-004.{AB} oP12 Pnma C29 SrH2 #62 SrH2 (part 2) A3B2_oP20_62_3c_2c-001.{AB} oP20 Pnma D5_8 Sb2S3 #62 Stibnite (part 1) A3B7_oP40_62_cd_3c2d-001.{AB} oP40 Pnma D10_1 C3Cr7 #62 C3Cr7 (part 1) A3B_oP16_62_cd_c-001.{AB} oP16 Pnma D0_{20} epsilon-NiAl3 #62 epsilon-NiAl3 (part 2) A4B_oP20_62_2cd_c-001.{AB} oP20 Pnma - MgB4 #62 MgB4 (part 1) AB3_oP16_62_c_3c-001.{AB} oP16 Pnma D0_{8} MoO3 #62 Molybdite (part 2) AB3_oP16_62_c_cd-001.{AB} oP16 Pnma D0_11 Fe3C #62 Cementite (part 1) AB_oP8_62_c_c-001.{AB} oP8 Pnma B16 GeS #62 GeS (part 1) AB_oP8_62_c_c-002.{AB} oP8 Pnma B31 MnP #62 MnP (part 1) AB_oP8_62_c_c-003.{AB} oP8 Pnma B27 FeB #62 FeB (part 1) AB_oP8_62_c_c-004.{AB} oP8 Pnma B29 SnS #62 SnS (part 1) AB_oP8_62_c_c-005.{AB} oP8 Pnma B14/B_{d} FeAs/NiSi #62 Westerveldite/eta-NiSi (part 2/part 3); eta-NiSi is structurally similar to westerveldite AB_oP8_62_c_c-006.{AB} oP8 Pnma - HgO #62 binary oxide (R. Friedrich), ICSD #14124 A2B_oC12_63_2c_c-001.{AB} oC12 Cmcm C49 ZrSi2 #63 ZrSi2 (part 1) A6B_oC28_63_efg_c-001.{AB} oC28 Cmcm D2_{h} MnAl6 #63 MnAl6 (part 2) AB_oC8_63_c_c-001.{AB} oC8 Cmcm B33 CrB #63 CrB (part 1) AB_oC8_63_c_c-002.AB oC8 Cmcm - AB #63 sc derivative (Y. Lederer) A2B_oC24_64_2f_f-001.{AB} oC24 Cmce - H2S #64 H2S (part 2) A3B5_oC16_65_ah_bej-001.{AB} oC16 Cmmm - Ga3Pt5 #65 Ga3Pt5 (part 1) AB3_oC8_65_a_bf-001.{AB} oC8 Cmmm L1_3 CdPt3 #65 Predicted CdPt3 (part 1), fcc derivative (Y. Lederer), equivalent to 11,12 [HTQC] AB_oC8_65_j_g-001.{AB} oC8 Cmmm - alpha-IrV #65 alpha-IrV (part 1) A3B_oC64_66_gi2lm_2l-001.{AB} oC64 Cccm - H3S #66 H3S (part 2) A3B_oC64_66_kl2m_bdl-001.{AB} oC64 Cccm - beta-ThI3 #66 beta-ThI3 (part 2) AB_oC8_67_a_g-001.{AB} oC8 Cmme - alpha-FeSe #67 alpha-FeSe (part 2) AB_oC8_67_a_g-002.{AB} oC8 Cmme - alpha-PbO #67 alpha-PbO (part 2) AB4_oC20_68_a_i-001.{AB} oC20 Ccce - PdSn4 #68 PdSn4 (part 2) AB_oF8_69_a_b-001.AB oF8 Fmmm B24 TlF #69 TlF (part 1) A2B_oF24_70_e_a-001.{AB} oF24 Fddd C54 TiSi2 #70 TiSi2 (part 1) AB2_oF48_70_f_fg-001.{AB} oF48 Fddd D1_{f}/C_{b} Mn2B/Mg2Cu #70 Mn2B/Mg2Cu (part 2/part 3), two Strukturbericht prototypes are structurally similar A4B3_oI14_71_gh_cg-001.{AB} oI14 Immm D7_{b} Ta3B4 #71 Ta3B4 (part 2) AB2_oI6_71_a_g-001.{AB} oI6 Immm - MoPt2 #71 MoPt2 (part 1), fcc derivative (Y. Lederer), equivalent to 7,8 [HTQC] AB2_oI6_71_a_i-001.{AB} oI6 Immm - ReSi2 #71 ReSi2 (part 1) A2B_oI12_72_j_a-001.{AB} oI12 Ibam C42 SiS2 #72 SiS2 (part 1) A2B_oI12_74_h_e-001.{AB} oI12 Imma - KHg2/CeCu2 #74 KHg2/CeCu2 (part 2/part 3) A4B_oI20_74_beh_e-001.{AB} oI20 Imma D1_{b} Al4U #74 Al4U (part 2) A3B7_tP40_76_3a_7a-001.{AB} tP40 P4_{1} - Cs3P7 #76 Cs3P7 (part 2) A2B_tP48_77_8d_4d-001.{AB} tP48 P4_{2} - H2S #77 H2S III (part 2) AB2_tI48_80_2b_4b-001.{AB} tI48 I4_{1} - beta-NbO2 #80 beta-NbO2 (part 2) AB2_tP12_81_adg_2h-001.{AB} tP12 P-4 - GeSe2 #81 GeSe2 (part 2) A3B_tI32_82_3g_g-001.{AB} tI32 I-4 D0_{e} Ni3P #82 Ni3P (part 2) A3B2_tP10_83_adk_j-001.{AB} tP10 P4/m - Ti2Ge3 #83 Ti2Ge3 (part 2) AB_tP16_84_cej_k-001.{AB} tP16 P4_{2}/m B34 PdS #84 PdS (part 1) A2B_tP30_85_ab2g_cg-001.{AB} tP30 P4/n - SrBr2 #85 SrBr2 (part 2) AB3_tP32_86_g_3g-001.{AB} tP32 P4_{2}/n - Ti3P #86 Ti3P (part 2) A4B5_tI18_87_h_ah-001.{AB} tI18 I4/m - Ti5Te4 #87 Ti5Te4 (part 1) AB4_tI10_87_a_h-001.{AB} tI10 I4/m D1_a Ni4Mo #87 Ni4Mo (part 1) A4B_tI20_88_f_a-001.{AB} tI20 I4_{1}/a - ThCl4 #88 ThCl4 (part 2) AB2_tI96_88_2f_4f-001.{AB} tI96 I4_{1}/a - alpha-NbO2 #88 alpha-NbO2 (part 2) A2B_tP12_92_b_a-001.{AB} tP12 P4_{1}2_{1}2 - SiO2 #92 alpha-Cristobalite (part 1) A2B_tP12_92_b_a-002.{AB} tP12 P4_{1}2_{1}2 - O2Ti #92 O2Ti binary oxide (R. Friedrich), ICSD #161691, equivalent to alpha-O2Te (paratellurite, http://aflow.org/prototype-encyclopedia/A2B_tP12_92_b_a.TeO2.html, part 3) A2B_tP36_96_3b_ab-001.{AB} tP36 P4_{3}2_{1}2 - SiO2 #96 Keatite (part 1) A2B_tI12_98_f_a-001.{AB} tI12 I4_{1}22 - CdAs2 #98 CdAs2 (part 2) A2B3_tP20_102_2c_b2c-001.{AB} tP20 P4_{2}nm - Gd3Al2 #102 Gd3Al2 (part 2) AB4_tP10_103_a_d-001.{AB} tP10 P4cc - NbTe4 #103 NbTe4 (part 2) A5B7_tI24_107_ac_abd-001.{AB} tI24 I4mm - Co5Ge7 #107 Co5Ge7 (part 2) AB_tI4_107_a_a-001.AB tI4 I4mm - GeP #107 GeP (part 2) A3B5_tI32_108_ac_a2c-001.{AB} tI32 I4cm - Sr5Si3 #108 Sr5Si3 (part 2) AB_tI8_109_a_a-001.AB tI8 I4_{1}md - NbAs #109 NbAs (part 2) A2B_tP12_111_2n_adf-001.{AB} tP12 P-42m - MnF2 #111 MnF2 (part 2) AB_tP8_111_n_n-001.AB tP8 P-42m - VN #111 VN (part 2) AB3_tP8_113_a_ce-001.{AB} tP8 P-42_{1}m - BaS3 #113 BaS3 (part 1) A3B_tP32_114_3e_e-001.{AB} tP32 P-42_{1}c - SeO3 #114 SeO3 (part 2) A4B_tP10_114_e_a-001.{AB} tP10 P-42_{1}c - Pd4Se #114 Pd4Se (part 2) A2B3_tP5_115_g_ag-001.{AB} tP5 P-4m2 - Rh3P2 #115 Rh3P2 (part 2) AB2_tP12_115_j_egi-001.{AB} tP12 P-4m2 - HgI2 #115 HgI2 (part 2) A2B3_tP20_116_bci_fj-001.{AB} tP20 P-4c2 - Ru2Sn3 #116 Ru2Sn3 (part 2) A2B3_tP20_117_i_adgh-001.{AB} tP20 P-4b2 D5_{12} beta-Bi2O3 #117 beta-Bi2O3 (part 2) A3B_tP16_118_ei_f-001.{AB} tP16 P-4n2 - RuIn3 #118 RuIn3 (part 2) A5B3_tP32_118_g2i_aceh-001.{AB} tP32 P-4n2 - Ir3Ga5 #118 Ir3Ga5 (part 2) A3B_tI24_119_b2i_af-001.{AB} tI24 I-4m2 - RbGa3 #119 RbGa3 (part 2) AB_tI4_119_c_a-001.AB tI4 I-4m2 - GaSb #119 GaSb (part 2) AB3_tP4_123_a_ce-001.{AB} tP4 P4/mmm L6_0 CuTi3 #123 CuTi3 (part 1) AB_tP2_123_a_d-001.AB tP2 P4/mmm L1_0 CuAu #123 CuAu (part 1), fcc derivative (Y. Lederer), equivalent to 3 [HTQC] AB4_tP10_124_a_m-001.{AB} tP10 P4/mcc - NbTe4 #124 NbTe4 (part 2) A4B_tP10_125_m_a-001.{AB} tP10 P4/nbm - PtPb4 #125 PtPb4 (part 2) A2B3_tP10_127_g_ah-001.{AB} tP10 P4/mbm D5_a Si2U3 #127 Si2U3 (part 1) A4B_tP20_127_ehj_g-001.{AB} tP20 P4/mbm D1_{e} ThB4 #127 ThB4 (part 2) A2B_tP6_129_ac_c-001.{AB} tP6 P4/nmm C38 Cu2Sb #129 Cu2Sb (part 1) AB_tP4_129_a_c-001.{AB} tP4 P4/nmm B10 PbO #129 PbO (part 1) AB_tP4_129_c_c-001.{AB} tP4 P4/nmm B11 gamma-CuTi #129 gamma-CuTi (part 1) AB_tP4_129_c_c-002.AB tP4 P4/nmm - AB #129 fcc derivative (Y. Lederer), equivalent to 14 [HTQC] A5B3_tP32_130_cg_cf-001.{AB} tP32 P4/ncc - Ba5Si3 #130 Ba5Si3 (part 2) AB_tP4_131_c_e-001.{AB} tP4 P4_{2}/mmc B17 PtS #131 PtS (part 1) AB_tP4_131_c_e-002.{AB} tP4 P4_{2}/mmc - PdO #131 PdO binary oxide (R. Friedrich), ICSD #26598 AB3_tP32_133_h_i2j-001.{AB} tP32 P4_{2}/nbc - beta-V3S #133 beta-V3S (part 2) A2B_tP24_135_gh_h-001.{AB} tP24 P4_{2}/mbc C47 SeO2 #135 Downeyite (part 2) A2B_tP6_136_f_a-001.{AB} tP6 P4_{2}/mnm C4 TiO2 #136 CrSi2 (part 1) AB_tP8_136_g_f-001.{AB} tP8 P4_{2}/mnm - beta-BeO #136 betaBeO (part 1) A2B3_tP40_137_cdf_3g-001.{AB} tP40 P4_{2}/nmc D5_{9} Zn3P2 #137 Zn3P2 (part 2) A2B_tP6_137_d_a-001.{AB} tP6 P4_{2}/nmc - ZrO2 #137 ZrO2 (part 2) AB2_tP6_137_a_d-001.{AB} tP6 P4_{2}/nmc C13 HgI2 #137 HgI2 (part 2) A12B_tI26_139_fij_a-001.{AB} tI26 I4/mmm D2_b Mn12Th #139 Mn12Th (part 1) A2B_tI6_139_d_a-001.{AB} tI6 I4/mmm L\'2 ThH2 #139 ThH2 (part 1) A3B_tI16_139_cde_e-001.{AB} tI16 I4/mmm D0_23 Al3Zr #139 Al3Zr (part 1) A3B_tI8_139_bd_a-001.{AB} tI8 I4/mmm D0_22 Al3Ti #139 Al3Ti (part 1) A3B_tI8_139_bd_a-002.{AB} tI8 I4/mmm - AB3 #139 fcc derivative (Y. Lederer) equivalent to 22,24 [HTQC] A4B5_tI18_139_i_ah-001.{AB} tI18 I4/mmm - V4Zn5 #139 V4Zn5 (part 1) A4B_tI10_139_de_a-001.{AB} tI10 I4/mmm D1_3 Al4Ba #139 Al4Ba (part 1) A8B_tI18_139_hi_a-001.{AB} tI18 I4/mmm - Pt8Ti #139 Pt8Ti (part 1) AB2_tI6_139_a_e-001.{AB} tI6 I4/mmm C11_b MoSi2 #139 MoSi2 (part 1) AB2_tI6_139_a_e-002.{AB} tI6 I4/mmm - AB2 #139 fcc derivative (Y. Lederer), equivalent to 5,6,6b [HTQC] AB2_tI6_139_a_e-003.{AB} tI6 I4/mmm - BaO2 #139 BaO2 binary oxide (R. Friedrich), ICSD #24248 AB2_tI6_139_a_e-004.{AB} tI6 I4/mmm C11_{a} KO2 (C2Ca-I) #139 KO2 binary oxide (R. Friedrich), ICSD #38245, equivalent to 250,251,1202.AB/BA,1211.AB/BA [HTQC], equivalent to C2Ca-I (C11_{a}, http://aflow.org/prototype-encyclopedia/A2B_tI6_139_e_a.html, part 3) AB_tI8_139_e_e-001.{AB} tI8 I4/mmm D3_{1} Hg2Cl2 #139 Calomel (part 2) AB_tI8_139_e_e-002.AB tI8 I4/mmm - AB #139 sc derivative (Y. Lederer) A2B_tI12_140_h_a-001.{AB} tI12 I4/mcm C16 Al2Cu #140 Khatyrkite (part 1) A3B5_tI32_140_ah_bk-001.{AB} tI32 I4/mcm D8_{m} W5Si3 #140 W5Si3 (part 2) A3B5_tI32_140_ah_cl-001.{AB} tI32 I4/mcm D8_{l} Cr5B3 #140 Cr5B3 (part 2) AB3_tI16_140_b_ah-001.{AB} tI16 I4/mcm D0_c SiU3 #140 SiU3 (part 1) AB_tI16_140_ab_h-001.{AB} tI16 I4/mcm B37 SeTl #140 SeTl (part 1) A2B3_tI80_141_ceh_3h-001.{AB} tI80 I4_{1}/amd - In2S3 #141 betaIn2S3 (part 1) A2B_tI12_141_e_a-001.{AB} tI12 I4_{1}/amd C5 TiO2 #141 Anatase (part 1) A2B_tI12_141_e_a-002.{AB} tI12 I4_{1}/amd C_{c} alpha-ThSi2 #141 alpha-ThSi2 (part 2) A2B_tI24_141_2e_e-001.{AB} tI28 I4_{1}/amd - Ga2Hf #141 Ga2Hf (part 1) A3B4_tI28_141_ad_h-001.{AB} tI28 I4_{1}/amd - Mn3O4 #141 Hausmannite (part 1) AB_tI16_141_e_e-001.{AB} tI16 I4_{1}/amd B_g MoB #141 MoB (part 1) AB_tI8_141_a_b-001.AB tI8 I4_{1}/amd "40" NbP #141 NbP (part 1) AB_tI8_141_a_b-002.AB tI8 I4_{1}/amd - AB #141 fcc derivative (Y. Lederer), equivalent to 23 [HTQC] AB2_hP12_143_cd_ab2d-001.{AB} hP12 P3 - MoS2 #143 MoS2 (part 2) A4B_hP15_144_4a_a-001.{AB} hP15 P3_{1} - IrGe4 #144 IrGe4 (part 2) AB_hP6_144_a_a-001.AB hP6 P3_{1} - ZnTe #144 ZnTe (part 2) A2B_hP9_147_g_ad-001.{AB} hP9 P-3 B_b AgZn #147 zetaAgZn (part 1) A2B_hR18_148_2f_f-001.{AB} hR18 R-3 - beta-PdCl2 #148 beta-PdCl2 (part 2) AB3_hR8_148_c_f-001.{AB} hR8 R-3 D0_5 BiI3 #148 BiI3 (part 1) AB_hR16_148_cf_cf-001.{AB} hR16 R-3 - C8H8 #148 Solid Cubane (part 1) AB_hR26_148_b2f_a2f-001.AB hR26 R-3 - PdAl #148 PdAl (part 1) AB3_hP24_149_acgi_3l-001.{AB} hP24 P312 - Ti3O #149 Ti3O (part 2) A2B_hP9_150_ef_bd-001.{AB} hP9 P321 C22 Fe2P #150 Original Fe2P (part 1) A3B_hP24_151_3c_2a-001.{AB} hP24 P3_{1}12 D0_4 CrCl3 #151 CrCl3 (part 1) A2B_hP9_152_c_a-001.{AB} hP9 P3_{1}21 - SiO2 #152 alphaQuartz (part 1) A3B_hP24_153_3c_2b-001.{AB} hP24 P3_{2}12 - CrCl3 #153 CrCl3 (part 2) AB_hP6_154_a_b-001.{AB} hP6 P3_{2}21 B9 HgS #154 Cinnabar (part 1) A3B2_hR5_155_e_c-001.{AB} hR5 R32 D5_e Ni3S2 #155 Hazelwoodite (part 1) AB3_hR8_155_c_de-001.{AB} hR8 R32 D0_14 AlF3 #155 AlF3 (part 1) AB2_hP9_156_b2c_3a2bc-001.{AB} hP9 P3m1 - CdI2 #156 CdI2 (part 2) AB_hP12_156_2ab3c_2ab3c-001.{AB} hP12 P3m1 - CuI #156 CuI (part 2) AB_hP4_156_ab_ab-001.{AB} hP4 P3m1 - beta-CuI #156 beta-CuI (part 2) A3B_hP8_158_d_a-001.{AB} hP8 P3c1 - beta-RuCl3 #158 beta-RuCl3 (part 2) A2B3_hP20_159_bc_2c-001.{AB} hP20 P31c - Bi2O3 #159 Bi2O3 (part 2) A4B3_hP28_159_ab2c_2c-001.{AB} hP28 P31c - alpha-Si3N4 #159 Nierite (part 2) A3B_hR4_160_b_a-001.{AB} hR4 R3m - H3S #160 H3S (part 2) A8B5_hR26_160_a3bc_a3b-001.{AB} hR26 R3m D8_{10} Cr5Al8 #160 Cr5Al8 (part 2) AB_hR10_160_5a_5a-001.AB hR10 R3m B7 SiC #160 Moissanite-15R (part 2) AB_hR6_160_3a_3a-001.AB hR6 R3m - CSi #160 Moissanite 9R structure (part 1) AB_hR6_160_b_b-001.{AB} hR6 R3m B13 NiS #160 Millerite (part 1) AB2_hP9_162_ad_k-001.{AB} hP9 P-31m - NV2 #162 betaV2N (part 1) A2B3_hP5_164_d_ad-001.{AB} hP5 P-3m1 D5_{2} La2O3 #164 La2O3 (part 2) A3B2_hP5_164_ad_d-001.{AB} hP5 P-3m1 D5_13 Al3Ni2 #164 Al3Ni2 (part 1) AB2_hP3_164_a_d-001.{AB} hP3 P-3m1 C6 CdI2 #164 omega Phase (part 1) AB2_hP9_164_bd_c2d-001.{AB} hP9 P-3m1 - deltaH^II-NW2 #164 deltaH^II-NW2 (part 2) A3B_hP24_165_adg_f-001.{AB} hP24 P-3c1 - H3Ho #165 H3Ho (part 1) A3B_hP24_165_bdg_f-001.{AB} hP24 P-3c1 D0_{21} Cu3P #165 Cu3P (part 2) A2B3_hR5_166_c_ac-001.{AB} hR5 R-3m C33 Bi2Te3 #166 Bi2Te3 (part 1) A4B3_hR7_166_2c_ac-001.{AB} hR7 R-3m D7_{1} Al4C3 #166 Al4C3 (part 2) A5B2_hR7_166_a2c_c-001.{AB} hR7 R-3m D8_i B5Mo2 #166 Mo2B5 (part 1) A6B_hR7_166_g_a-001.{AB} hR7 R-3m - CaC6 #166 CaC6 (part 1) A7B6_hR13_166_ah_3c-001.{AB} hR13 R-3m D8_5 Fe7W6 #166 Fe7W6 mu-phase (part 1) AB_hR2_166_a_b-001.AB hR2 R-3m L1_1 CuPt #166 CuPt (part 1), fcc derivative (Y. Lederer), equivalent to 4 [HTQC] A2B3_hR10_167_c_e-001.{AB} hR10 R-3c D5_1 Al2O3 #167 Corundum (part 1) A2B3_hR10_167_c_e-002.{AB} hR10 R-3c - O3V2 #167 O3V2 binary oxide (R. Friedrich), ICSD #94768 A2B3_hP30_169_2a_3a-001.{AB} hP30 P6_{1} - alpha-Al2S3 #169 alpha-Al2S3 (part 2) A2B3_hP30_170_2a_3a-001.{AB} hP30 P6_{5} - Al2S3 #170 Al2S3 (part 2) A3B_hP8_173_c_b-001.{AB} hP8 P6_{3} - PI3 #173 PI3 (part 2) A4B3_hP14_173_bc_c-001.{AB} hP14 P6_{3} - beta-Si3N4 #173 beta-Si3N4 (part 2) A3B2_hP10_176_h_bc-001.{AB} hP10 P6_{3}/m - Er3Ru2 #176 Er3Ru2 (part 2) A3B_hP8_176_h_c-001.{AB} hP8 P6_{3}/m - UCl3 #176 UCl3 (part 2) A2B_hP36_177_j2lm_n-001.{AB} hP36 P622 - SiO2 #177 SiO2 (part 2) AB3_hP24_178_b_ac-001.{AB} hP24 P6_{1}22 - AuF3 #178 AuF3 (part 2) AB3_hP24_179_b_ac-001.{AB} hP24 P6_{5}22 - AuF3 #179 AuF3 (part 2) A2B_hP18_180_fi_bd-001.{AB} hP18 P6_{2}22 C_a Mg2Ni #180 Mg2Ni (part 1) A2B_hP9_180_j_c-001.{AB} hP9 P6_{2}22 C8 SiO2 #180 beta-Quartz (part 1) AB2_hP9_180_d_j-001.{AB} hP9 P6_{2}22 C40 CrSi2 #180 CrSi2 (part 1) A2B_hP9_181_j_c-001.{AB} hP9 P6_{4}22 - beta-SiO2 #181 beta-SiO2 (part 2) AB3_hP8_182_c_g-001.{AB} hP8 P6_{3}22 - Fe3C #182 Bainite (part 1) AB_hP6_183_c_ab-001.{AB} hP6 P6mm - CrFe3NiSn5 #183 CrFe3NiSn5 (part 2) A3B_hP24_185_ab2c_c-001.{AB} hP24 P6_{3}cm - Cu3P #185 Cu3P (part 2) A3B_hP8_185_c_a-001.{AB} hP8 P6_{3}cm - beta-RuCl3 #185 beta-RuCl3 (part 2) AB3_hP24_185_c_ab2c-001.{AB} hP24 P6_{3}cm - Na3As #185 Na3As (part 2) A3B7_hP20_186_c_b2c-001.{AB} hP20 P6_{3}mc D10_{2} Fe3Th7 #186 Fe3Th7 (part 2) AB_hP12_186_a2b_a2b-001.AB hP12 P6_{3}mc B6 SiC #186 Moissanite-6H SiC (part 1) AB_hP4_186_b_a-001.{AB} hP4 P6_{3}mc B12 BN #186 Original BN (part 1) AB_hP4_186_b_b-001.AB hP4 P6_{3}mc B4 ZnS #186 Wurtzite (part 1) AB_hP8_186_ab_ab-001.AB hP8 P6_{3}mc B5 SiC #186 Moissanite-4H SiC (part 1) AB3_hP4_187_e_fh-001.{AB} hP4 P-6m2 - Re3N #187 Re3N (part 2) AB_hP2_187_d_a-001.AB hP2 P-6m2 B_h WC #187 Tungsten Carbide (part 1) A2B_hP9_189_fg_bc-001.{AB} hP9 P-62m C22 Fe2P #189 Revised Fe2P (part 1) A2B_hP18_190_gh_bf-001.{AB} hP18 P-62c - Li2Sb #190 Li2Sb (part 2) A5B3_hP16_190_bdh_g-001.{AB} hP16 P-62c - alpha-Sm3Ge5 #190 alpha-Sm3Ge5 (part 2) AB_hP24_190_i_afh-001.{AB} hP24 P-62c - FeS #190 Troilite (part 2) A2B_hP6_191_h_e-001.{AB} hP6 P6/mmm C_h Cu2Te #191 Cu2Te (part 1) A3B_hP4_191_bc_a-001.{AB} hP4 P6/mmm - Li3N #191 Li3 Ni (part 1) AB2_hP3_191_a_d-001.{AB} hP3 P6/mmm C32 AlB2 #191 Hexagonal omega (part 1) AB5_hP6_191_a_cg-001.{AB} hP6 P6/mmm D2_d CaCu5 #191 CaCu5 (part 1) AB_hP6_191_f_ad-001.{AB} hP6 P6/mmm B35 CoSn #191 CoSn (part 1) AB2_hP72_192_m_j2kl-001.{AB} hP72 P6/mcc - AlPO4 #192 AlPO4 (part 2) A5B3_hP16_193_dg_g-001.{AB} hP16 P6_{3}/mcm D8_{8} Mn5Si3 #193 Mavlyanovite (part 2) A2B_hP12_194_cg_f-001.{AB} hP12 P6_{3}/mmc C10 SiO2 #194 beta-Tridymite (part 1) A3B_hP16_194_gh_ac-001.{AB} hP16 P6_{3}/mmc D0_{24} Ni3Ti #194 Ni3Ti (part 2) A3B_hP8_194_h_c-001.{AB} hP8 P6_{3}/mmc D0_19 Ni3Sn #194 Ni3Sn (part 1) A5B2_hP14_194_abdf_f-001.{AB} hP14 P6_{3}/mmc D8_h W2B5 #194 W2B5 (part 1) A5B2_hP28_194_ahk_ch-001.{AB} hP28 P6_{3}/mmc D8_{11} Co2Al5 #194 Co2Al5 (part 2) AB2_hP12_194_f_ah-001.{AB} hP12 P6_{3}/mmc C14 MgZn2 #194 MgZn2 Hexagonal Laves (part 1) AB2_hP24_194_ef_fgh-001.{AB} hP24 P6_{3}/mmc C36 MgNi2 #194 MgNi2 Hexagonal Laves (part 1) AB2_hP6_194_b_f-001.{AB} hP6 P6_{3}/mmc - CaIn2 #194 CaIn2 (part 1) AB2_hP6_194_c_ad-001.{AB} hP6 P6_{3}/mmc B8_2 Ni2In #194 Ni2In (part 1) AB2_hP6_194_c_f-001.{AB} hP6 P6_{3}/mmc C7 MoS2 #194 Molybdenite (part 1) AB3_hP8_194_c_bf-001.{AB} hP8 P6_{3}/mmc D0_18 Na3As #194 Na3As (part 1) AB_hP12_194_af_bf-001.{AB} hP12 P6_{3}/mmc - CMo #194 CMo structure (part 1) AB_hP12_194_df_ce-001.{AB} hP12 P6_{3}/mmc B18 CuS #194 Covellite (part 1) AB_hP4_194_c_a-001.{AB} hP4 P6_{3}/mmc B8_1 NiAs #194 NiAs (part 1) AB_hP4_194_c_d-001.AB hP4 P6_{3}/mmc B_k BN #194 BN (part 1) AB_hP8_194_ad_f-001.{AB} hP8 P6_{3}/mmc B_i AsTi #194 AsTi (part 1) A4B_cI40_197_cde_c-001.{AB} cI40 I23 - Ga4Ni #197 Ga4Ni3 (part 1) A3B_cP16_198_b_a-001.{AB} cP16 P2_{1}3 D1 NH3 #198 Ammonia (part 1) AB_cP8_198_a_a-001.{AB} cP8 P2_{1}3 B21 CO #198 alphaCO (part 1) AB_cP8_198_a_a-002.AB cP8 P2_{1}3 B20 FeSi #198 FeSi (part 1) AB_cI16_199_a_a-001.AB cI16 I2_{1}3 B_a CoU #199 CoU (part 1) A2B11_cP39_200_f_aghij-001.{AB} cP39 Pm-3 D8_{c} Mg2Zn11 #200 Mg2Zn11 (part 2) A12B_cI26_204_g_a-001.{AB} cI26 Im-3 - Al12W #204 Al12W (part 1) A3B_cI32_204_g_c-001.{AB} cI32 Im-3 D0_2 CoAs3 #204 Skutterudite (part 1) AB2_cP12_205_a_c-001.{AB} cP12 Pa-3 C2 FeS2 #205 Pyrite (part 1) AB2_cP12_205_a_c-002.{AB} cP12 Pa-3 - NaO2 #205 binary oxide (R. Friedrich), ICSD #87178, equivalent to 1214 [HTQC] AB_cP16_205_c_c-001.{AB} cP16 Pa-3 - CuCl #205 SC16 (part 1) A17B15_cP64_207_acfk_eij-001.{AB} cP64 P432 - Pd17Se15 #207 Pd17Se15 (part 2) A3B_cP16_208_j_b-001.{AB} cP16 P4_{2}32 - PH3 #208 PH3 (part 2) A2B_cI72_211_hi_i-001.{AB} cI72 I432 - SiO2 #211 SiO2 (part 2) A2B_cP12_212_c_a-001.{AB} cP12 P4_{3}32 - SrSi2 #212 SrSi2 (part 2) A4B9_cP52_215_ei_3efgi-001.{AB} cP52 P-43m D8_{3} gamma-Cu9Al4 #215 gamma-brass (part 2) AB4_cP5_215_a_e-001.{AB} cP5 P-43m - Fe4C #215 Fe4C (part 1) AB5_cF24_216_a_ce-001.{AB} cF24 F-43m C15_b AuBe5 #216 AuBe5 (part 1) AB_cF8_216_c_a.AB cF8 F-43m B3 ZnS #216 ZnS (part 1) A4B_cI10_217_c_a-001.{AB} cI10 I-43m - SiF4 #217 SiF4 (part 1) A5B8_cI52_217_ce_cg-001.{AB} cI52 I-43m - Cu5Zn8 #217 gammaBrass (part 1) A15B4_cI76_220_ae_c-001.{AB} cI76 I-43d D8_{6} Cu15Si4 #220 Cu15Si4 (part 2) A3B2_cI40_220_d_c-001.{AB} cI40 I-43d D5_c Pu2C3 #220 Pu2C3 (part 1) A4B3_cI28_220_c_a-001.{AB} cI28 I-43d D7_{3} Th3P4 #220 Th3P4 (part 2) A3B_cP4_221_d_a.{AB} cP4 Pm-3m D0_9 ReO3 #221 alpha-ReO3 (part 1) A6B_cP7_221_f_a-001.{AB} cP7 Pm-3m D2_1 CaB6 #221 CaB6 (part 1) AB11_cP36_221_c_agij-001.{AB} cP36 Pm-3m D2_e BaHg11 #221 BaHg11 (part 1) AB3_cP4_221_a_c.{AB} cP4 Pm-3m L1_2 Cu3Au #221 Cu3Au (part 1), fcc derivative (Y. Lederer), equivalent to 25,26 [HTQC] AB_cP2_221_b_a.AB cP2 Pm-3m B2/G0_{8} CsCl/(NH4)(NO3) #221 CsCl (part 1), equivalent to 61,1026.AB,1205.AB [HTQC], equivalent to NH4NO3 I (G0_{8}, http://aflow.org/prototype-encyclopedia/AB_cP2_221_a_b.NH4.NO3.html, part 3) AB_cP6_221_c_d.AB cP6 Pm-3m - NbO #221 NbO (part 1) A3B_cP8_223_c_a.{AB} cP8 Pm-3n A15 Cr3Si #223 Cr3Si (part 1) A2B_cP6_224_b_a.{AB} cP6 Pn-3m C3 Cu2O #224 Cuprite (part 1) A12B_cF52_225_i_a-001.{AB} cF52 Fm-3m D2_f UB12 #225 UB12 (part 1) A23B6_cF116_225_bd2f_e-001.{AB} cF116 Fm-3m D8_{a} Th6Mn23 #225 Th6Mn23 (part 2) A6B23_cF116_225_e_acfh-001.{AB} cF116 Fm-3m D8_4 Cr23C6 #225 Cr23C6 (part 1) A7B_cF32_225_bd_a.{AB} cF32 Fm-3m -/L1_{a} Ca7Ge/CuPt3 #225 Ca7Ge/CuPt3 (part 1/part 3) AB2_cF12_225_a_c.{AB} cF12 Fm-3m C1 CaF2 #225 CaF2 (part 1) AB3_cF16_225_a_bc.{AB} cF16 Fm-3m D0_3 BiF3 #225 BiF3 (part 1) AB_cF8_225_a_b.AB cF8 Fm-3m B1 NaCl #225 Rock Salt (part 1), equivalent to 201,720.AB,720.BA,1009.AB,1200.AB [HTQC] AB13_cF112_226_a_bi-001.{AB} cF112 Fm-3c D2_{3} NaZn13 #226 NaZn13 (part 2) A2B_cF24_227_c_a.{AB} cF24 Fd-3m C9 SiO2 #227 Ideal beta-Cristobalite (part 1) A2B_cF24_227_d_a.{AB} cF24 Fd-3m C15 Cu2Mg #227 Cu2Mg Cubic Laves (part 1) A3B4_cF56_227_ad_e-001.{AB} cF56 Fd-3m D7_{2} Co3O4 #227 Spinel (part 2) AB2_cF48_227_c_e-001.{AB} cF48 Fd-3m - CTi2 #227 CTi2 (part 1) AB2_cF96_227_e_cf-001.{AB} cF96 Fd-3m - NiTi2 #227 NiTi2 (part 1) AB_cF16_227_a_b.AB cF16 Fd-3m B32 NaTl #227 NaTl (part 1) A6B_cF224_228_h_c-001.{AB} cF224 Fd-3c - TeO6H6 #228 TeO6H6 (part 2) A2B7_cI54_229_e_afh-001.{AB} cI54 Im-3m L2_2 Sb2Tl7 #229 L22 (part 1) A3B10_cI52_229_e_fh-001.{AB} cI52 Im-3m D8_{1} gamma-Fe3Zn10 #229 gamma-brass (part 2) A3B_cI8_229_b_a.{AB} cI8 Im-3m - H3S #229 High Pressure H3S (part 1) A4B3_cI14_229_c_b.{AB} cI14 Im-3m - Pt3O4 #229 Pt3O4 (part 1) A4B_cI10_229_c_a.{AB} cI10 Im-3m - beta-Hg4Pt #229 beta-Hg4Pt (part 2) A7B3_cI40_229_df_e-001.{AB} cI40 Im-3m D8_{f} Ir3Ge7 #229 Ir3Ge7 (part 2) A4B3_cI112_230_af_g-001.{AB} cI112 Ia-3d - Ga4Ni3 #230 Ga4Ni3 (part 1) ***************************************************************************************************************************************************** ANRL - TERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes (part) ---------------------------------------------------------------------------------------------------------------------------------------------------- ABC2_aP16_1_4a_4a_8a-001.{ABC} aP16 P1 - AsKSe2 #1 AsKSe2 (part 1) A3BC_mC10_8_ab_a_a-001.{ABC} mC10 Cm - Pb(Zr0.52Ti0.48)O3 #8 Monoclinic PZT [PbO3] (part 1) ABC2_mP8_10_ac_eh_mn-001.ABC/BCA/CAB mP8 P2/m - AuAgTe2 #10 Muthmannite (part 2) ABC3_mP10_11_e_e_ef-001.{ABC} mP10 P2_{1}/m G0_6 KClO3 #11 KClO3 (part 1) A7B2C2_mC22_12_aij_h_i-001.{ABC} mC22 C2/m S2_{1} [Sc,Y]2Si2O7 #12 Thortveitite (part 2) ABC4_mP12_13_e_a_2g-001.{ABC} mP12 P2/c E1_b AgAuTe4 #13 Sylvanite (part 1) ABC4_oP12_16_ag_cd_2u-001.{ABC} oP12 P222 - AlPS4 #16 AlPS4 (part 1) A2BC2_oF40_22_fi_ad_gh-001.{ABC} oF40 F222 - CeRu2B2 #22 CeRu2B2 (part 2) ABC2_oI16_23_ab_i_k-001.{ABC} oI16 I222 - NaFeS2 #23 NaFeS2 (part 2) ABC4_oI12_23_a_b_k-001.{ABC} oI12 I222 - BPS4 #23 BPS4 (part 2) ABC_oP12_29_a_a_a-001.ABC/BCA/CAB oP12 Pca2_{1} - CoAsS #29 Cobaltite (part 2) A5B3C15_oP46_30_a2c_bc_a7c-001.{ABC} oP46 Pnc2 - Bi5Nb3O15 #30 Bi5Nb3O15 (part 2) ABC3_oP20_30_2a_c_3c-001.{ABC} oP20 Pnc2 - CuBrSe3 #30 CuBrSe3 (part 2) AB3C4_oP16_31_a_ab_2ab-001.{ABC} oP16 Pmn2_{1} H2_5 AsCu3S4 #31 Enargite (part 1) A13B2C2_oP34_32_a6c_c_c-001.{ABC} oP34 Pba2 - Re2O5[SO4]2 #32 Re2O52 (part 2) AB3C4_oP32_33_a_3a_4a-001.{ABC} oP32 Pna2_{1} - AsK3S4 #33 AsK3S4 (part 1) A2B8C_oP22_34_c_4c_a-001.{ABC} oP22 Pnn2 - TiAl2Br8 #34 TiAl2Br8 (part 2) AB8C2_oC22_35_a_ab3e_e-001.{ABC} oC22 Cmm2 - V2MoO8 #35 V2MoO8 (part 2) A2B5C2_oC36_37_d_c2d_d-001.{ABC} oC36 Ccc2 - Li2Si2O5 #37 Li2Si2O5 (part 2) A2BC_oC8_38_e_a_b-001.{ABC} oC8 Amm2 - C2CeNi #38 C2CeNi (part 1) A9BC_oC44_39_3c3d_a_c-001.{ABC} oC44 Aem2 - VPCl9 #39 VPCl9 (part 2) AB2C_oC16_40_a_2b_b-001.{ABC} oC16 Ama2 - K2CdPb #40 K2CdPb (part 2) A2BC2_oI20_45_c_b_c-001.ABC/BCA/CAB oI20 Iba2 - MnGa2Sb2 #45 MnGa2Sb2 (part 2) ABC_oI36_46_ac_bc_3b-001.{ABC} oI36 Ima2 - TiFeSi #46 TiFeSi (part 2) A2BC4_oP28_50_ij_ac_ijm-001.{ABC} oP28 Pban - La2NiO4 #50 La2NiO4 (part 2) A3BC2_oP48_50_3m_m_2m-001.{ABC} oP48 Pban - alpha-Tl2TeO3 #50 alpha-Tl2TeO3 (part 2) ABC2_oP16_53_h_e_gh-001.{ABC} oP16 Pmna - TaNiTe2 #53 TaNiTe2 (part 2) ABC3_oP20_53_e_g_hi-001.{ABC} oP20 Pmna - CuBrSe3 #53 CuBrSe3 (part 2) ABC3_oP20_54_e_d_cf-001.{ABC} oP20 Pcca - BiGaO3 #54 BiGaO3 (part 2) ABC_oP6_59_a_a_a-001.{ABC} oP6 Pmmn - CNCl #59 CNCl (part 1) ABC_oP6_59_a_b_a-001.{ABC} oP6 Pmmn E0_{5} FeOCl #59 FeOCl (part 2) A2B4C_oP28_62_ac_2cd_c-001.{ABC} oP28 Pnma S1_{2} Mg2SiO4 #62 Forsterite (part 2) A2B4C_oP28_62_ac_2cd_c-002.{ABC} oP28 Pnma - Ag2CrO4 #62 Ag2CrO4 ternary oxide (R. Friedrich), ICSD #16298 AB2C3_oP24_62_c_d_cd-001.{ABC} oP24 Pnma E9_{e} CuFe2S3 #62 Cubanite (part 2) AB2C_oP16_62_c_2c_c-001.{ABC} oP16 Pnma F5_6 CuSbS2 #62 Chalcostibite (part 1) AB3C_oP20_62_c_cd_a-001.{ABC} oP20 Pnma - CaTiO3 #62 CaTiO3 Pnma Perovskite (part 1) AB3C_oP20_62_c_cd_a-002.{ABC} oP20 Pnma - CaO3Zr #62 CaO3Zr ternary oxide (R. Friedrich), ICSD #97463 AB4C_oP24_62_c_2cd_c-001.{ABC} oP24 Pnma H0_{2} BaSO4 #62 Barite (part 2) A2BC3_oC24_63_e_c_cg-001.{ABC} oC24 Cmcm - KFe2S3 #63 Rasvumite (part 2) A43B5C17_oC260_63_c8fg6h_cfg_ce3f2h-001.{ABC} oC260 Cmcm - La43Ni17Mg5 #63 La43Ni17Mg5 (part 2) AB2C_oC16_63_c_2c_c-001.{ABC} oC16 Cmcm - SrCuO2 #63 SrCuO2 (part 1) AB3C_oC20_63_a_cf_c-001.{ABC} oC20 Cmcm - MgSiO3/AsCV3 #63 Post-perovskite/V3AsC (part 2/part 3); V3AsC is structurally similar to the post-perovskite AB4C_oC24_63_a_fg_c-001.{ABC} oC24 Cmcm - MgO4S #63 MgSO4 (part 2) AB4C_oC24_63_c_fg_c-001.{ABC} oC24 Cmcm H0_{1} CaSO4 #63 Anhydrite (part 2) A2B2C_oC80_64_efg_efg_df-001.{ABC} oC80 Cmce - MgB2C2 #64 MgB2C2 (part 1) A2B4C_oC28_66_l_kl_a-001.{ABC} oC28 Cccm - SrAl2Se4 #66 SrAl2Se4 (part 2) A2BC_oC16_67_ag_b_g-001.{ABC} oC16 Cmme - Al2CuIr #67 Al2CuIr (part 2) ABC2_oC16_67_b_g_ag-001.{ABC} oC16 Cmme - HoCuP2 #67 HoCuP2 (part 2) ABC_oI12_71_h_j_g-001.{ABC} oI12 Immm - NbPS #71 NbPS (part 2) A2BC_tP16_76_2a_a_a-001.{ABC} tP16 P4_{1} - LaRhC2 #76 LaRhC2 (part 2) A2B7C2_tP88_78_4a_14a_4a-001.{ABC} tP88 P4_{3} - Sr2As2O7 #78 Sr2As2O7 (part 2) A2BC2_tI20_79_c_2a_c-001.{ABC} tI20 I4 - TlZn2Sb2 #79 TlZn2Sb2 (part 2) A2BC4_tI14_82_bc_a_g-001.{ABC} tI14 I-4 E3 CdAl2S4 #82 CdAl2S4 (part 1) AB4C_tI12_82_c_g_a-001.ABC/BCA/CAB tI12 I-4 H0_7 BPO4 #82 BPO4 (part 1) ABC_tP24_91_d_d_d-001.{ABC} tP24 P4_{1}22 - ThBC #91 ThBC (part 2) A14B3C5_tP44_94_c3g_ad_bg-001.{ABC} tP44 P4_{2}2_{1}2 - Na5Fe3F14 #94 Na5Fe3F14 (part 2) A6B2C_tP18_94_eg_c_a-001.{ABC} tP18 P4_{2}2_{1}2 - Li2MoF6 #94 Li2MoF6 (part 2) ABC_tP24_95_d_d_d-001.{ABC} tP24 P4_{3}22 - ThBC #95 ThBC (part 2) AB8C2_tI44_97_e_2k_cd-001.{ABC} tI44 I422 - Ta2Se8I #97 Ta2Se8I (part 2) A3BC_tP5_99_bc_a_b-001.{ABC} tP5 P4mm - Pb(Zr0.52Ti0.48)O3 #99 Tetragonal PZT [PbO3] (part 1) A3B11C6_tP40_100_ac_bc2d_cd-001.{ABC} tP40 P4bm - Ce3Si6N11 #100 Ce3Si6N11 (part 2) A7B7C2_tP32_101_bde_ade_d-001.{ABC} tP32 P4_{2}cm - gamma-MgNiSn #101 gamma-MgNiSn (part 2) A5B5C4_tP28_104_ac_ac_c-001.{ABC} tP28 P4nc - Ba5In4Bi5 #104 Ba5In4Bi5 (part 2) AB6C4_tP22_104_a_2ac_c-001.{ABC} tP22 P4nc - Tl4HgI6 #104 Tl4HgI6 (part 2) A2BC2_tP20_105_f_ac_2e-001.{ABC} tP20 P4_{2}mc - BaGe2As2 #105 BaGe2As2 (part 2) ABC_tI12_109_a_a_a-001.ABC/BCA/CAB tI12 I4_{1}md - LaPtSi #109 LaPtSi (part 2) A2BC8_tI176_110_2b_b_8b-001.{ABC} tI176 I4_{1}cd - Be[BH4]2 #110 Be2 (part 2) AB4C_tP12_112_b_n_e-001.{ABC} tP12 P-42c - alpha-CuAlCl4 #112 alpha-CuAlCl4 (part 2) A4BC2_tI28_120_i_d_e-001.{ABC} tI28 I-4c2 - KAu4Sn2 #120 KAu4Sn2 (part 2) ABC2_tI16_122_a_b_d-001.{ABC} tI16 I-42d E1_1 CuFeS2 #122 Chalcopyrite (part 1) AB5C_tP7_123_b_ci_a-001.{ABC} tP7 P4/mmm - HoCoGa5 #123 HoCoGa5 (part 1) ABC2_tP4_123_d_a_f-001.{ABC} tP4 P4/mmm - CaCuO2 #123 CaCuO2 (part 1) AB4C_tP12_124_a_m_c-001.ABC/BCA/CAB tP12 P4/mcc - Nb4CoSi #124 Nb4CoSi (part 2) ABC4_tP12_125_a_b_m-001.{ABC} tP12 P4/nbm - KCeSe4 #125 KCeSe4 (part 2) A2BC4_tP28_126_cd_e_k-001.{ABC} tP28 P4/nnc - BiAl2S4 #126 BiAl2S4 (part 2) A6B2C_tP18_128_eh_d_a-001.{ABC} tP18 P4/mnc - K2SnCl6 #128 K2SnCl6 (part 2) A7B2C_tP40_128_egi_h_e-001.{ABC} tP40 P4/mnc E9_{a} FeCu2Al7 #128 FeCu2Al7 (part 2) ABC_tP6_129_c_a_c-001.{ABC} tP6 P4/nmm E0_1 PbFCl #129 Matlockite (part 1) A2BC4_tP28_130_f_c_g-001.{ABC} tP28 P4/ncc - CuBi2O4 #130 CuBi2O4 (part 2) AB6C_tP16_132_d_io_a-001.{ABC} tP16 P4_{2}/mcm - AgUF6 #132 AgUF6 (part 2) A4B2C_tP28_135_gh_h_d-001.{ABC} tP28 P4_{2}/mbc - ZnSb2O4 #135 ZnSb2O4 (part 2) A4BC4_tP18_137_g_b_g-001.{ABC} tP18 P4_{2}/nmc - CeCo4B4 #137 CeCo4B4 (part 2) AB2C4_tI14_139_a_e_ce-001.{ABC} tI14 I4/mmm - (La,Ba)2CuO4 #139 0201 [(La,Ba)2CuO4] (part 1) AB2C4_tI14_139_a_e_ce-002.{ABC} tI14 I4/mmm - O4Sr2Ti #139 O4Sr2Ti ternary oxide (R. Friedrich), ICSD #157402, equivalent to K2NiF4 (http://aflow.org/prototype-encyclopedia/A4B2C_tI14_139_ce_e_a.html, part 3) A4BC_tI24_141_h_b_a-001.{ABC} tI24 I4_{1}/amd - ZrSiO4 #141 Zircon (part 1) ABC4_tI96_142_e_ab_2g-001.{ABC} tI96 I4_{1}/acd - PPrS4 #142 PPrS4 (part 1) A4B14C3_hP21_143_bd_ac4d_d-001.{ABC} hP21 P3 - Ta3Al4O13[OH] #143 Simpsonite (part 2) A4B6C_hP11_143_bd_2d_a-001.{ABC} hP11 P3 - ScRh6P4 #143 ScRh6P4 (part 2) A3BC_hR5_146_b_a_a-001.{ABC} hR5 R3 - gamma-Ag3SI #146 gamma-Ag3SI (part 2) ABC3_hR10_146_2a_2a_2b-001.{ABC} hR10 R3 - FePSe3 #146 FePSe3 (part 2) A2B4C_hR42_148_2f_4f_f-001.{ABC} hR42 R-3 S1_{3} Be2SiO4 #148 Phenakite (part 2) AB3C_hR10_148_c_f_c-001.ABC/BCA/CAB hR10 R-3 - FeTiO3 #148 Ilmenite (part 1) A5B6C2_hP13_157_2ac_2c_b-001.{ABC} hP13 P31m - Ag5Pb2O6 #157 Ag5Pb2O6 (part 2) ABC_hR3_160_a_a_a-001.ABC/BAC/CAB hR3 R3m F0_{2} COS #160 Carbonyl Sulphide (part 2) ABC3_hR10_161_a_a_b-001.{ABC} hR10 R3c - LiNbO3 #161 Ferroelectric LiNbO3 (part 1) ABC2_hP4_164_a_b_d-001.{ABC/BCA/CAB hP4 P-3m1 - CuNiSb2 #164 CuNiSb2 (part 2) ABC2_hR4_166_a_b_c-001.{ABC} hR4 R-3m F5_1 CrNiS2 #166 Caswellsilverite (part 1) ABC2_hR4_166_a_b_c-002.ABC/BCA/CAB hR4 R-3m - ABC2 #166 rocksalt derivative (Y. Lederer) ABC2_hR4_166_a_b_c-003.ABC/BCA/CAB hR4 R-3m - AlLiO2 #166 AlLiO2 ternary oxide (R. Friedrich), ICSD #28288 ABC2_hR4_166_a_b_c-004.{ABC} hR4 R-3m - CuFeO2 #166 CuFeO2 ternary oxide (R. Friedrich), ICSD #246912, equivalent to rhombohedral delafossite (CuFeO2, http://aflow.org/prototype-encyclopedia/ABC2_hR4_166_a_b_c.CuFeO2.html, part 3) ABC_hR6_166_c_c_c-001.{ABC} hR6 R-3m - SmSI #166 SmSI (part 2) AB3C_hR10_167_b_e_a-001.{ABC} hR10 R-3c - PrNiO3 #167 PrNiO3 (part 2) ABC2_hR24_167_e_e_2e-001.{ABC} hR24 R-3c F5_{13} KBO2 #167 KBO2 (part 2) ABC3_hR10_167_a_b_e-001.{ABC} hR10 R-3c - LiNbO3 #167 Paraelectric LiNbO3 (part 1) ABC3_hR10_167_a_b_e-002.{ABC} hR10 R-3c G0_1 CaCO3 #167 Calcite (part 1) A2B13C4_hP57_168_d_c6d_2d-001.{ABC} hP57 P6 - K2Ta4O9F4 #168 K2Ta4O9F4 (part 2) AB4C_hP72_168_2d_8d_2d-001.{ABC} hP72 P6 - Al[PO4] #168 Al (part 2) A10B2C_hP39_171_5c_c_a-001.{ABC} hP39 P6_{2} - Sr[S2O6][H2O]4 #171 Sr4 (part 2) A10B2C_hP39_172_5c_c_a-001.{ABC} hP39 P6_{4} - Sr[S2O6][H2O]4 #172 Sr4 (part 2) A12B7C2_hP21_174_2j2k_ajk_cf-001.{ABC} hP21 P-6 - Fe12Zr2P7 #174 Fe12Zr2P7 (part 2) ABC_hP12_174_cj_fk_aj-001.ABC/BCA/CAB hP12 P-6 - GdSI #174 GdSI (part 2) A8B7C6_hP21_175_ck_aj_k-001.{ABC} hP21 P6/m - Nb7Ru6B8 #175 Nb7Ru6B8 (part 2) ABC_hP36_175_jk_jk_jk-001.{ABC} hP36 P6/m - Mg[NH] #175 Mg (part 2) A3B3C_hP14_176_h_h_c-001.{ABC} hP14 P6_{3}/m - Fe3Te3Tl #176 Fe3Te3Tl (part 3) ABC_hP3_183_a_a_a-001.ABC/BCA/CAB hP3 P6mm - AuCN #183 AuCN (part 2) AB4C_hP72_184_d_4d_d-001.ABC/BCA/CAB hP72 P6cc - Al[PO4] #184 Al (part 2) A3BC_hP30_185_cd_c_ab-001.{ABC} hP30 P6_{3}cm - KNiCl3 #185 KNiCl3 (part 2) A5B3C_hP18_186_2a3b_2ab_b-001.{ABC} hP18 P6_{3}mc E9_4 Al5C3N #186 Al5C3N (part 1) ABC_hP3_187_a_d_f-001.ABC/BCA/CAB hP3 P-6m2 - BaPtSb #187 BaPtSb (part 1) A3BC_hP10_188_k_c_a-001.ABC/BCA/CAB hP10 P-6c2 - LiScI3 #188 LiScI3 (part 2) AB9C4_hP28_188_e_kl_ak-001.{ABC} hP28 P-6c2 S3_{2} BaSi4O9 #188 BaSi4O9 (part 2) AB4C_hP6_191_a_h_b-001.ABC/BCA/CAB hP6 P6/mmm - AlB4Mg #191 AlB4Mg (part 1) A9B3C_hP26_194_hk_h_a-001.{ABC} hP26 P6_{3}/mmc E9_{c} Al9Mn3Si #194 Al9Mn3Si (part 2) AB3C4_hP16_194_c_af_ef-001.{ABC} hP16 P6_{3}/mmc - AlN3Ti4 #194 AlN3Ti4 (part 1) ABC2_hP8_194_d_a_f-001.{ABC} hP8 P6_{3}/mmc - AlCCr2 #194 AlCCr2 (part 1) ABC_hP6_194_c_d_a-001.ABC/BCA/CAB hP6 P6_{3}/mmc - LiBC #194 LiBC (part 1) A12BC4_cP34_195_2j_ab_2e-001.{ABC} cP34 P23 - PrRu4P12 #195 PrRu4P12 (part 2) A12B2C_cF60_196_h_bc_a-001.{ABC} cF60 F23 - Cu2Fe[CN]6 #196 Cu2Fe6 (part 2) ABC3_cP20_198_a_a_b-001.{ABC} cP20 P2_{1}3 G3 NaClO3 #198 Sodium Chlorate (part 2) ABC_cP12_198_a_a_a-001.{ABC} cP12 P2_{1}3 F0_1 NiSSb #198 Ullmanite (part 1) AB3C_cP60_201_be_fh_g-001.{ABC} cP60 Pn-3 - KSbO3 #201 KSbO3 (part 2) A6B6C_cF104_202_h_h_c-001.{ABC} cF104 Fm-3 - KB6H6 #202 KB6H6 (part 2) AB3C16_cF160_203_a_bc_eg-001.{ABC} cF160 Fd-3 - Rb3AsSe16 #203 Rb3AsSe16 (part 2) AB32C48_cI162_204_a_2efg_2gh-001.{ABC} cI162 Im-3 - Mg32(Al,Zn)49 #204 Bergman [Mg32(Al,Zn)49] (part 1) A2B3C6_cP264_205_2d_ab2c2d_6d-001.{ABC} cP264 Pa-3 - Ca3Al2O6 #205 Ca3Al2O6 (part 2) AB3C2_cI96_206_c_e_ad-001.{ABC} cI96 Ia-3 E9_{d} AlLi3N2 #206 AlLi3N2 (part 2) AB3C6_cI80_206_a_d_e-001.{ABC} cI80 Ia-3 D5_3 (Mn,Fe)2O3 #206 Bixbyite (part 1) A24BC_cF104_209_j_a_b-001.{ABC} cF104 F432 - F6KP #209 F6KP (part 2) A12B6C_cF608_210_4h_2h_e-001.{ABC} cF608 F4_{1}32 - Te[OH]6 #210 Te6 (part 2) A3B3C_cI56_214_g_h_a-001.{ABC} cI56 I4_{1}32 - Ca3PI3 #214 Ca3PI3 (part 2) A3BC2_cI48_214_f_a_e-001.{ABC} cI48 I4_{1}32 - Ag3AuTe2 #214 Petzite (part 2) A3B4C_cP8_215_d_e_a-001.{ABC} cP8 P-43m H2_4 Cu3S4V #215 Sulvanite (part 1) AB3C4_cP8_215_a_c_e-001.{ABC} cP8 P-43m - Cu3AsS4 #215 Cubic Lazarevicite (part 1) ABC_cF12_216_b_c_a.ABC/BCA/CAB cF12 F-43m C1_b AgAsMg #216 Half-Heusler (part 1) A3B4C_cP16_218_c_e_a-001.{ABC} cP16 P-43n H2_{1} Ag3[PO4] #218 Ag3 (part 2) A2B3C6_cP33_221_cd_ag_fh-001.{ABC} cP33 Pm-3m E9_{1} Ca3Al2O6 #221 Ca3Al2O6 (part 2) AB3C_cP5_221_a_c_b.{ABC} cP5 Pm-3m E2_1 CaTiO3 #221 Cubic Perovskite (part 1) A5B3C16_cP96_222_ce_d_fi-001.{ABC} cP96 Pn-3n - Ce5Mo3O16 #222 Ce5Mo3O16 (part 2) A6B2C_cF36_225_e_c_a-001.{ABC} cF36 Fm-3m J1_{1} K2PtCl6 #225 K2PtCl6 (part 2) A9B16C7_cF128_225_acd_2f_be-001.{ABC} cF128 Fm-3m - Cr9Fe16Ni7 #225 Model of Ferrite (part 1) AB18C8_cF108_225_a_eh_f-001.{ABC} cF108 Fm-3m - CrFe18Ni8 #225 Model of Austenite (part 1) AB2C_cF16_225_a_c_b.ABC/BCA/CAB cF16 Fm-3m L2_1 AlCu2Mn #225 Heusler (part 1), B2 derivative (Y. Lederer), equivalent to T0001 [HTQC] A2B2C7_cF88_227_c_d_af-001.{ABC} cF88 Fd-3m - Eu2Ir2O7 #227 Pyrochlore Iridate (part 2) A2BC4_cF56_227_d_a_e-001.{ABC} cF56 Fd-3m H1_1 Al2MgO4 #227 Spinel (part 1) AB3C3_cF112_227_c_de_f-001.{ABC} cF112 Fd-3m E9_3 Fe3W3C #227 Fe3W3C (part 1) AB12C3_cI32_229_a_h_b-001.{ABC} cI32 Im-3m - CrFe12Ni3 #229 Model of Austenite (part 1) AB4C3_cI16_229_a_c_b.{ABC} cI16 Im-3m - CrFe4Ni3 #229 Model of Ferrite (part 1) ***************************************************************************************************************************************************** ANRL - QUATERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes (part) ---------------------------------------------------------------------------------------------------------------------------------------------------- ABC6D2_mC40_15_e_e_3f_f-001.{ABCD} mC40 C2/c -/S4_{1} CaFeO6Si2/CaMgO6Si2 #15 Esseneite/Diopside (part 1/part 3), Diopside (S4_{1}) is structurally similar to esseneite AB7CD2_oI44_24_a_b3d_c_ac-001.{ABCD} oI44 I2_{1}2_{1}2_{1} - Na2MgAlF7 #24 Weberite (part 2) A6B4C16D_oP108_27_abcd4e_4e_16e_e-001.{ABCD} oP108 Pcc2 - Ca4Al6O16S #27 Ca4Al6O16S (part 2) A2B3C7D_oP13_47_t_aq_eqrs_h-001.{ABCD} oP13 Pmmm - YBa2Cu3O7-x #47 1212C [YBa2Cu3O7-x] (part 1) A2B8CD_oP24_48_k_2m_d_b-001.{ABCD} oP24 Pnnn - alpha-RbPr[MoO4]2 #48 alpha-RbPr2 (part 2) AB2C8D_oP24_49_g_q_2qr_e-001.{ABCD} oP24 Pccm - CsPr[MoO4]2 #49 CsPr2 (part 2) ABCD_oP16_57_d_c_d_d-001.{ABCD} oP16 Pbcm F5_9 KCNS #57 KCNS (part 1) ABCD3_oI48_73_d_e_e_ef-001.{ABCD} oI48 Ibca - KAg[CO3] #73 KAg (part 2) AB2C12D4_tP76_75_2a2b_2d_12d_4d-001.{ABCD} tP76 P4 - BaCr2Ru4O12 #75 BaCr2Ru4O12 (part 2) A2B6CD7_tP64_77_2d_6d_d_ab6d-001.{ABCD} tP64 P4_{2} - MgB2O(OH)6 #77 Pinnoite (part 2) A17BC4D_tP184_89_17p_p_4p_io-001.{ABCD} tP184 P422 - C17FeO4Pt #89 C17FeO4Pt (part 2) A4B2C13D_tP40_90_g_d_cef2g_c-001.{ABCD} tP40 P42_{1}2 - Na4Ti2Si8O22[H2O]4 #90 Na4Ti2Si8O224 (part 2) A2B8CD_tI24_97_d_k_a_b-001.ABCD/ACDB/ADBC/ tI24 I422 - NaGdCu2F8 #97 NaGdCu2F8 (part 2) BADC/BCAD/BDCA/CABD/CBDA/CDAB/DACB/DBAC/DCBA A2B8C2D_tP26_100_c_abcd_c_a-001.{ABCD} tP26 P4bm - Ba2TiSi2O8 #100 Fresnoite (part 2) A3BC3D_tP64_106_3c_c_3c_c-001.{ABCD} tP64 P4_{2}bc - NaZn[OH]3 #106 NaZn3 (part 2) A2BC7D2_tP24_113_e_a_cef_e-001.{ABCD} tP24 P-42_{1}m S5_{3} Ca2MgSi2O7 #113 Akermanite (part 2) A2BC4D_tI16_121_d_a_i_b-001.ABCD/ACDB/ADBC/ tI16 I-42m H2_6 Cu2FeS4Sn #121 Stannite (part 1) BADC/BCAD/BDCA/CABD/CBDA/CDAB/DACB/DBAC/DCBA A4BC4D_tP10_123_gh_a_i_d-001.{ABCD} tP10 P4/mmm - CaRbFe4As4 #123 CaRbFe4As4 (part 2) ABCD_tP8_129_c_b_a_c-001.{ABCD} tP8 P4/nmm - AsCuSiZr #129 AsCuSiZr (part 1) A2B2C4D_tP18_132_e_i_o_d-001.{ABCD} tP18 P4_{2}/mcm - Rb2TiCu2Se4 #132 Rb2TiCu2S4 (part 2) AB4C7D_hP26_159_b_ac_a2c_b-001.{ABCD} hP26 P31c - YbBaCo4O7 #159 YbBaCo4O7 (part 2) AB2CD2_hP36_163_h_i_bf_i-001.{ABCD} hP36 P-31c F5_10 KAg(CN)2 #163 KAg2 (part 1) A8BC3D6_hP18_189_bfh_a_g_i-001.{ABCD} hP18 P-62m E9_{b} pi-FeMg3Al8Si6 #189 pi-FeMg3Al8Si6 (part 2) A9BC3D5_hP18_189_fi_a_g_bh-001.{ABCD} hP18 P-62m - pi-FeMg3Al9Si5 #189 pi-FeMg3Al9Si5 (part 2) A2B3C18D6_hP58_192_c_f_lm_l-001.{ABCD} hP58 P6/mcc G3_{1} Be3Al2Si6O18 #192 Beryl (part 2) A12B36CD12_cF488_210_h_3h_a_fg-001.{ABCD} cF488 F4_{1}32 - MgB12H12[H2O]12 #210 MgB12H1212 (part 2) ABCD_cF16_216_c_d_b_a.ABCD/BCAD/CABD cF16 F-43m - LiMgAuSn #216 Quaternary Heusler (part 2) A7BC3D13_cF192_219_de_b_c_ah-001.{ABCD} cF192 F-43c - Mg3B7ClO13 #219 Boracite (part 2) AB11CD3_cP16_221_a_dg_b_c-001.{ABCD} cP16 Pm-3m - CrFe11MoNi3 #221 Model of Ferrite (part 1) AB27CD3_cP32_221_a_dij_b_c-001.{ABCD} cP32 Pm-3m - CrFe2525Ni6 #221 Model of Austenite (part 1) A5BCD6_cF416_228_eg_c_b_h-001.{ABCD} cF416 Fd-3c - CuCrCl5[NH3]6 #228 CuCrCl56 (part 2) A2B3C12D3_cI160_230_a_c_h_d-001.{ABCD} cI160 Ia-3d S1_{4} Co3Al2Si3O12 #230 Garnet (part 2) ***************************************************************************************************************************************************** ANRL - QUINARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes (part) ---------------------------------------------------------------------------------------------------------------------------------------------------- A8B2C12D2E_oI50_23_bcfk_i_3k_j_a-001.{ABCDE} oI50 I222 - Cu8(Fe,Zn)3Sn2S12 #23 Stannoidite (part 2) AB4C17D4E_tP54_90_a_g_c4g_g_c-001.{ABCDE} tP54 P42_{1}2 - BaCu4[VO][PO4]4 #90 BaCu44 (part 2) AB32CD4E8_tP184_93_i_16p_af_2p_4p-001.{ABCDE} tP184 P4_{2}22 - AsPh4CeS8P4Me8 #93 AsPh4CeS8P4Me8 (part 2) A2B3C3DE7_hP48_145_2a_3a_3a_a_7a-001.{ABCDE} hP48 P3_{2} - NaCa3[CO3]2F3[H2O] #145 Sheldrickite (part 2) A2BCD3E6_cF208_203_e_c_d_f_g-001.{ABCDE} cF208 Fd-3 - Na3Co(CO3)2Cl #203 Pyrochlore (part 2) A4B2C6D16E_cF232_203_e_d_f_eg_a-001.{ABCDE} cF232 Fd-3 - Na6Mg2(SO4)(CO3)4 #203 Tychite (part 2) A6B2CD6E_cP64_208_m_ad_b_m_c-001.{ABCDE} cP64 P4_{2}32 - Cs2ZnFe[CN]6 #208 Cs2ZnFe6 (part 2) ***************************************************************************************************************************************************** ANRL - BCC-SQS ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB_aP16_2_4i_4i-001.AB aP16 P-1 - AB #2 bcc-SQS [10.1103/PhysRevB.69.214202] (O. Levy, part 3) A5B11_mP16_6_2abc_2a3b3c-001.{AB} mP16 Pm - A5B11 #6 bcc-SQS [10.1103/PhysRevB.94.224104] (O. Levy, part 3) AB3_mC32_8_4a_12a-001.{AB} mC32 Cm - AB3 #8 bcc-SQS [10.1103/PhysRevB.69.214202] (O. Levy, part 3) AB3_mC32_8_4a_4a4b-001.{AB} mC32 Cm - AB3 #8 bcc-SQS [10.1103/PhysRevB.94.224104] (O. Levy, part 3) A3B13_oC32_38_ac_a2bcdef-001.{AB} oC32 Amm2 - A3B13 #38 bcc-SQS [10.1103/PhysRevB.94.224104] (O. Levy, part 3) A3B5_oC32_38_abce_abcdf-001.{AB} oC32 Amm2 - A3B5 #38 bcc-SQS [10.1103/PhysRevB.94.224104] (O. Levy, part 3) AB7_hR16_166_c_c2h-001.{AB} hR16 R-3m - AB7 #166 bcc-SQS [10.1103/PhysRevB.94.224104] (O. Levy, part 3) ***************************************************************************************************************************************************** ANRL - miscellaneous ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A2BCD4_tI16_82_ac_b_d_g-001.ABCD/BCAD/ tI16 I-4 - Cu2(Zn,Fe)SnS4 #82 Kesterite, 12 protos [Can. Mineral., 16, 131-137 (1978)] (C. Oses, part 3) CABD/DBAC/BADC/ADBC/ACDB/CDAB/DACB/ DCBA/CBDA/BDCA A2B3_cI80_206_ad_e.{AB} tI80 Ia-3 - NZn #206 NZn (ICSD #84918) (R. Friedrich) ***************************************************************************************************************************************************** ANRL - fcc/sc derivative structures - BINARIES (Y. Lederer) ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB3_mC8_12_a_di-001.{AB} mC8 C2/m - AB3 #12 fcc derivative, equivalent to 16,18 [HTQC] AB_mC8_12_i_i-001.AB mC8 C2/m - AB #12 fcc derivative, equivalent to 17 [HTQC] AB3_oP4_47_a_ct-001.{AB} oP4 Pmmm - AB3 #47 fcc derivative, equivalent to 19,21 [HTQC] A3B_oP4_47_cr_a-001.{AB} oP4 Pmmm - A3B #47 sc derivative AB_oP4_51_e_e-001.AB oP4 Pmma - AB #51 sc derivative AB_oP4_59_a_a-001.AB oP4 Pmmn - AB #59 fcc derivative, equivalent to 20 [HTQC] AB2_oC6_65_a_i-001.{AB} oC6 Cmmm - AB2 #65 sc derivative A3B_oC8_65_ai_b-001.{AB} oC8 Cmmm - A3B #65 sc derivative A3B_oC8_65_bj_a-001.{AB} oC8 Cmmm - A3B #65 sc derivative AB_oC8_65_i_i-001.AB oC8 Cmmm - AB #65 sc derivative AB_tP2_123_a_b-001.AB tP2 P4/mmm - AB #123 sc derivative AB_tP2_123_a_c-001.AB tP2 P4/mmm - AB #123 sc derivative A2B_tP3_123_g_a-001.{AB} tP3 P4/mmm - A2B #123 sc derivative A3B_tP4_123_abc_d-001.{AB} tP4 P4/mmm - A3B #123 sc derivative A3B_tP4_123_ag_b-001.{AB} tP4 P4/mmm - A3B #123 sc derivative A3B_tP4_123_cf_a-001.{AB} tP4 P4/mmm - A3B #123 sc derivative AB3_tP4_123_a_bh-001.{AB} tP4 P4/mmm - AB3 #123 fcc derivative, equivalent to 13,15 [HTQC] AB_tP4_123_g_g-001.AB tP4 P4/mmm - AB #123 sc derivative A3B_tI8_139_ae_b-001.{AB} tI8 I4/mmm - A3B #139 sc derivative A2B_hP3_164_d_a-001.{AB} hP3 P-3m1 - A2B #164 fcc derivative, equivalent to 9,10 [HTQC] A2B_hP3_164_d_a-002.{AB} hP3 P-3m1 - A2B #164 sc derivative A3B_hR4_166_bc_a-001.{AB} hR4 R-3m - A3B #166 sc derivative AB3_hR4_166_a_bc-001.{AB} hR4 R-3m - AB3 #166 fcc derivative, equivalent to 27,29 [HTQC] AB_hR4_166_c_c-001.AB hR4 R-3m - AB #166 fcc derivative, equivalent to 28 [HTQC] AB_hR4_166_c_c-002.AB hR4 R-3m - AB #166 sc derivative ***************************************************************************************************************************************************** ANRL - rocksalt/B2 derivative structures - TERNARIES (Y. Lederer) ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB3C4_mC16_12_a_di_2i-001.{ABC} mC16 C2/m - AB3C4 #12 rocksalt derivative, AB3_mC8_12_a_di-001 with C "in between" ABC2_mC16_12_i_i_adi-001.ABC/BCA/CAB mC16 C2/m - ABC2 #12 rocksalt derivative, AB_mC8_12_i_i-001 with C "in between" AB3C4_oP8_47_a_ct_egs-001.{ABC} oP8 Pmmm - AB3C4 #47 rocksalt derivative, AB3_oP4_47_a_ct-001 with C "in between" A3BC4_oP8_47_eq_g_bdt-001.{ABC} oP8 Pmmm - A3BC4 #47 B2 derivative, A3B_oP4_47_cr_a-001 with C "in between", shifted origin ABC2_oP8_51_e_e_2f-001.ABC/BCA/CAB oP8 Pmma - ABC2 #51 B2 derivative, AB_oP4_51_e_e-001 with C "in between" ABC2_oP8_59_a_a_2b-001.ABC/BCA/CAB oP8 Pmmn - ABC2 #59 rocksalt derivative, AB_oP4_59_a_a-001 with C "in between" ABC2_oC16_63_c_c_g-001.ABC/BCA/CAB oC16 Cmcm - ABC2 #63 B2 derivative, AB_oC8_63_c_c-002 with C "in between" AB2C3_oC12_65_a_i_cj-001.{ABC} oC12 Cmmm - AB2C3 #65 B2 derivative, AB2_oC6_65_a_i-001 with C "in between" A3BC4_oC16_65_ai_b_q-001.{ABC} oC16 Cmmm - A3BC4 #65 B2 derivative, A3B_oC8_65_ai_b-001 with C "in between" A3BC4_oC16_65_bj_a_eh-001.{ABC} oC16 Cmmm - A3BC4 #65 B2 derivative, A3B_oC8_65_bj_a-001 with C "in between" AB3C4_oC16_65_a_bf_hi-001.{ABC} oC16 Cmmm - AB3C4 #65 rocksalt derivative, AB3_oC8_65_a_bf-001 with C "in between" ABC2_oC16_65_i_i_fh-001.ABC/BCA/CAB oC16 Cmmm - ABC2 #65 B2 derivative, AB_oC8_65_i_i-001 with C "in between" AB2C3_oI12_71_a_e_df-001.{ABC} oI12 Immm - AB2C3 #71 rocksalt derivative, AB2_oI6_71_a_g-001 with C "in between", shifted origin ABC2_tP4_123_a_b_h-001.ABC/BCA/CAB tP4 P4/mmm - ABC2 #123 B2 derivative, AB_tP2_123_a_b with C "in between"; equivalent to TBCC011 [HTQC] ABC2_tP4_123_a_c_e-001.ABC/BCA/CAB tP4 P4/mmm - ABC2 #123 B2 derivative, AB_tP2_123_a_c-001 with C "in between"; equivalent to TBCC016 [HTQC] ABC2_tP4_123_a_d_bc-001.ABC/BCA/CAB tP4 P4/mmm - ABC2 #123 rocksalt derivative, AB_tP2_123_a_d-001 with C "in between" A2BC3_tP6_123_g_b_ch-001.{ABC} tP6 P4/mmm - A2BC3 #123 B2 derivative, A2B_tP3_123_g_a-001 with C "in between", shifted origin A3BC4_tP8_123_abc_d_i-001.{ABC} tP8 P4/mmm - A3BC4 #123 B2 derivative, A3B_tP4_123_abc_d-001 with C "in between" A3BC4_tP8_123_ag_b_2h-001.{ABC} tP8 P4/mmm - A3BC4 #123 B2 derivative, A3B_tP4_123_ag_b-001 with C "in between" A3BC4_tP8_123_cf_a_k-001.{ABC} tP8 P4/mmm - A3BC4 #123 B2 derivative, A3B_tP4_123_cf_a-001 with C "in between" AB3C4_tP8_123_a_bh_cdg-001.{ABC} tP8 P4/mmm - AB3C4 #123 rocksalt derivative, AB3_tP4_123_a_bh-001 with C "in between" ABC2_tP8_123_h_h_abg-001.ABC/BCA/CAB tP8 P4/mmm - ABC2 #123 B2 derivative, AB_tP4_123_g_g-001 with C "in between", shifted origin ABC2_tP8_129_c_c_2c-001.ABC/BCA/CAB tP8 P4/nmm - ABC2 #129 rocksalt derivative, AB_tP4_129_c_c-002 with C "in between" AB2C3_tI12_139_a_e_be-001.{ABC} tI12 I4/mmm - AB2C3 #139 rocksalt derivative, AB_tI8_139_e_e-002 with C "in between" A3BC4_tI16_139_ae_b_g-001.{ABC} tI16 I4/mmm - A3BC4 #139 B2 derivative, A3B_tI8_139_ae_b-001 with C "in between" AB3C4_tI16_139_a_bd_ce-001.{ABC} tI16 I4/mmm - AB3C4 #139 rocksalt derivative, A3B_tI8_139_bd_a-002.BA (swap A and B) with C "in between" ABC2_tI16_139_e_e_cd-001.ABC/BCA/CAB tI16 I4/mmm - ABC2 #139 B2 derivative, AB_tI8_139_e_e-002 with C "in between" ABC2_tI16_141_a_b_e-001.ABC/BCA/CAB tI16 I4_{1}/amd - ABC2 #141 rocksalt derivative, AB_tI8_141_a_b-002 with C "in between" A2BC3_hP6_164_d_a_bd-001.{ABC} hP6 P-3m1 - A2BC3 #164 rocksalt derivative, A2B_hP3_164_d_a-001 with C "in between" A2BC3_hP6_164_d_b_ad-001.{ABC} hP6 P-3m1 - A2BC3 #164 B2 derivative, A2B_hP3_164_d_a-002 with C "in between", shifted origin A3BC4_hR8_166_bc_a_2c-001.{ABC} hR8 R-3m - A3BC4 #166 B2 derivative, A3B_hR4_166_bc_a-001 with C "in between" AB3C4_hR8_166_a_bc_2c-001.{ABC} hR8 R-3m - AB3C4 #166 rocksalt derivative, AB3_hR4_166_a_bc-001 with C "in between" ABC2_hR8_166_c_c_abc-001.ABC/BCA/CAB hR8 R-3m - ABC2 #166 rocksalt derivative, AB_hR4_166_c_c-001 with C "in between" ABC2_hR8_166_c_c_abc-002.ABC/BCA/CAB hR8 R-3m - ABC2 #166 B2 derivative, AB_hR4_166_c_c-002 with C "in between" AB3C4_cP8_221_a_c_bd.{ABC} cP8 Pm-3m - AB3C4 #221 rocksalt derivative, AB3_cP4_221_a_c with C "in between" ***************************************************************************************************************************************************** ANRL - oxides - BINARIES (R. Friedrich) ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB_mC20_12_b2i_c2i-001.{AB} mC20 C2/m - OTi #12 OTi, ICSD #56694 A2B3_mC20_12_2i_3i-001.{AB} mC20 C2/m - Ga2O3 #12 Ga2O3, ICSD #83645, equivalent to beta-Ga2O3 (http://aflow.org/prototype-encyclopedia/A2B3_mC20_12_2i_3i.html, part 3) A5B3_mC32_12_5i_3i-001.{AB} mC32 C2/m - O5Ti3 #12 O5Ti3, ICSD #75193 A3B_mP16_14_3e_e-001.{AB} mP16 P2_{1}/c - O3W #14 O3W, ICSD #84848 A2B3_mP20_14_2e_3e-001.{AB} mP20 P2_{1}/c - Bi2O3 #14 Bi2O3, ICSD #168806 AB_mC8_15_a_e-001.{AB} mC8 C2/c - CuO #15 CuO, ICSD #92368 A4B_mC20_15_2f_e-001.{AB} mC20 C2/c - O4Os #15 O4Os, ICSD #23803 A2B5_oP28_19_2a_5a-001.{AB} oP28 P2_{1}2_{1}2_{1} - As2O5 #19 As2O5, ICSD #654040 A2B_oP24_33_4a_2a-001.{AB} oP24 Pna2_{1} - O2Sb #33 O2Sb, ICSD #4109, equivalent to alpha-Sb2O4 (cervantite, http://aflow.org/prototype-encyclopedia/A2B_oP24_33_4a_2a.html, part 3) AB3_oC16_40_b_a2b-001.{AB} oC16 Ama2 - CrO3 #40 CrO3, ICSD #16031 A5B2_oP14_59_a2e_e-001.{AB} oP14 Pmmn - O5V2 #59 O5V2, ICSD #60767, equivalent to O5V2 (shcherbinaite (revised), http://aflow.org/prototype-encyclopedia/A5B2_oP14_59_a2f_f.html, part 3) AB_oC16_64_e_f-001.{AB} oC16 Cmce - KO #64 KO, ICSD #180559 A4B3_tP28_135_gh_dh-001.{AB} tP28 P4_{2}/mbc - O4Pb3 #135 O4Pb3, ICSD #29094 A2B3_hP15_144_2a_3a-001.{AB} hP15 P3_{1} - B2O3 #144 B2O3, ICSD #24649 A2B_hR3_166_c_a-001.{AB} hR3 R-3m - Cs2O #166 Cs2O, ICSD #27919 AB2_hR6_166_c_2c-001.{AB} hR6 R-3m - OTl2 #166 OTl2, ICSD #16220 AB_hP12_189_fg_eh-001.{AB} hP12 P-62m - NaO #189 NaO, ICSD #25526 AB_hP8_194_ac_f-001.{AB} hP8 P6_{3}/mmc - LiO #194 LiO, ICSD #152183 A2B3_cI80_199_a2b_2c-001.{AB} cI80 I2_{1}3 - In2O3 #199 In2O3, ICSD #33649 A3B2_cF80_227_f_e-001.{AB} cF80 Fd-3m - O3Sb2 #227 O3Sb2, ICSD #31102 ***************************************************************************************************************************************************** ANRL - oxides - TERNARIES (R. Friedrich) ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A4B4C_aP18_2_4i_4i_i-001.{ABC} aP18 P-1 - Na4O4Si #2 Na4O4Si, ICSD #15500 A2B7C2_aP22_2_2i_7i_2i-001.{ABC} aP22 P-1 - Ca2O7V2 #2 Ca2O7V2, ICSD #421266 A2B7C2_aP22_2_2i_7i_2i-002.{ABC} aP22 P-1 - Mg2O7V2 #2 Mg2O7V2, ICSD #2321 AB3C_aP30_2_3i_9i_3i-001.{ABC} aP30 P-1 - CaO3Si #2 CaO3Si, ICSD #201537, equivalent to CaO3Si (wollastonite, http://aflow.org/prototype-encyclopedia/AB3C_aP30_2_3i_9i_3i.html, part 3) A2B5C_aP32_2_4i_10i_2i-001.{ABC} aP32 P-1 S0_{1} Al2O5Si #2 Al2O5Si, ICSD #85742, equivalent to Al2O5Si (kyanite, http://aflow.org/prototype-encyclopedia/A2B5C_aP32_2_4i_10i_2i.html, part 3) A2B4C_mP28_4_4a_8a_2a-001.{ABC} mP28 P2_{1} - Al2O4Sr #4 Al2O4Sr, ICSD #160297 A3BC_mC60_5_ab8c_ab2c_3c-001.{ABC} mC60 C2 - O3SiSr #5 O3SiSr, ICSD #32542 A3B5C_mC54_8_3a3b_9a3b_3a-001.{ABC} mC54 Cm - Ca3O5Si #8 Ca3O5Si, ICSD #81100 A2B7C3_mP24_11_2e_7e_3e-001.{ABC} mP24 P2_{1}/m - Na2O7Ti3 #11 Na2O7Ti3, ICSD #15463 AB6C2_mC18_12_a_3i_i-001.{ABC} mC18 C2/m - CaO6V2 #12 CaO6V2, ICSD #166516 AB6C2_mC18_12_a_3i_i-002.{ABC} mC18 C2/m - MgO6V2 #12 MgO6V2, ICSD #10391 ABC4_mC48_12_gi_hi_2i3j-001.{ABC} mC48 C2/m - MgMoO4 #12 MgMoO4, ICSD #20418 ABC4_mC48_12_gi_hi_2i3j-002.{ABC} mC48 C2/m - FeMoO4; #12 FeMoO4, ICSD #43012 AB4C_mP12_13_f_2g_e-001.{ABC} mP12 P2/c H0_{6} MgO4W #13 MgO4W, ICSD #67903, equivalent to MgO4W (huanzalaite, H0_{6}, http://aflow.org/prototype-encyclopedia/AB4C_mP12_13_f_2g_e.html, part 3) AB4C_mP12_13_f_2g_e-002.{ABC} mP12 P2/c - NiO4W #13 NiO4W, ICSD #16685 AB3C_mP40_14_2e_6e_2e-001.{ABC} mP40 P2_{1}/c - MgO3Si #14 MgO3Si, ICSD #30895 A2B3C_mC24_15_2e_af_e-001.{ABC} mC24 C2/c - Li2O3Zr #15 Li2O3Zr, ICSD #94893 AB3C_mC40_15_2e_3f_f-001.{ABC} mC40 C2/c - NaO3V #15 NaO3V, ICSD #2103 A2B3C_mC48_15_aef_3f_2e-001.{ABC} mC48 C2/c - Li2O3Ti #15 Li2O3Ti, ICSD #162215, equivalent to Na2O3Pr (http://aflow.org/prototype-encyclopedia/A2B3C_mC48_15_aef_3f_2e.html, part 3) A4BC7_mC48_15_2f_e_e3f-001.{ABC} mC48 C2/c - Al4CaO7 #15 Al4CaO7, ICSD #14270 AB3C_mC60_15_cf_e4f_ef-001.{ABC} mC60 C2/c - CaO3Si #15 CaO3Si, ICSD #87694 ABC2_oP16_33_a_a_2a-001.{ABC} oP16 Pna2_{1} - FeNaO2; #33 FeNaO2, ICSD #186309 A2B3C_oC24_36_b_ab_a-001.{ABC} oC24 Cmc2_{1} - Li2O3Si #36 Li2O3Si, ICSD #28192 A2B3C_oC24_36_b_ab_a-002.{ABC} oC24 Cmc2_{1} - Na2O3Si #36 Na2O3Si, ICSD #24664 A2B5C_oP32_58_eg_3gh_g-001.{ABC} oP32 Pnnm S0_{2} Al2O5Si #58 Al2O5Si, ICSD #30679, equivalent to Al2O5Si (http://aflow.org/prototype-encyclopedia/A2B5C_oP32_58_eg_3gh_g.html, part 3) AB2C4_oC28_63_c_ac_fg-001.{ABC} oC28 Cmcm H1_{8} CrNa2O4 #63 CrNa2O4, ICSD #76001, equivalent to CrNa2O4 (http://aflow.org/prototype-encyclopedia/AB2C4_oC28_63_c_bc_fg.html, part 3) AB5C2_oC32_63_c_c2f_f-001.{ABC} oC32 Cmcm E4_{1} MgO5Ti2/Fe2O5Ti #63 MgO5Ti2, ICSD #37232, equivalent to Fe2O5Ti (pseudobrookite, http://aflow.org/prototype-encyclopedia/A2B5C_oC32_63_f_c2f_c.html, part 3) ABC4_tI24_88_a_b_f-001.{ABC} tI24 I4_{1}/a - BaMoO4 #88 BaMoO4, ICSD #50821 ABC4_tI24_88_a_b_f-002.{ABC} tI24 I4_{1}/a H0_{4} CaMoO4/CaO4W #88 CaMoO4, ICSD #417513, equivalent to CaO4W (scheelite, H0_{4}, http://aflow.org/prototype-encyclopedia/AB4C_tI24_88_b_f_a.html, part 3) A4BC2_tP28_91_2d_b_ac-001.{ABC} tP28 P4_{1}22 - O4TiZn2 #91 O4TiZn2, ICSD #109093 A2BC4_hP56_173_2b2c_ac_b5c-001.{ABC} hP56 P6_{3} - Al2BaO4 #173 Al2BaO4, ICSD #246027 AB2C4_cF56_227_b_c_e-001.{ABC} cF56 Fd-3m - MoNa2O4 #227 MoNa2O4, ICSD #151970 ***************************************************************************************************************************************************** ANRL - nitrides - BINARIES (R. Friedrich) ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A2B3_cI80_206_ad_e-001.{AB} cI80 Ia-3 - N2Zn3 #206 N2Zn3, ICSD #84918 ***************************************************************************************************************************************************** ANRL - nitrides - TERNARIES (R. Friedrich) ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A3B3C_mC56_9_6a_6a_2a-001.{ABC} mC56 Cc - N3Na3W1 #9 N3Na3W1, ICSD #75364 ABC_oP12_62_c_c_c-001.{ABC} oP12 Pnma - CaLiN #62 CaLiN, ICSD #107304 A2B2C_tI10_139_e_e_a-001.{ABC} tI10 I4/mmm - Ca2N2Zn #139 Ca2N2Zn, ICSD #69049 A3BC2_hP6_191_f_a_d-001.{ABC} hP6 P6/mmm - Na3TaTi2 #191 Na3TaTi2, ICSD #186418 ***************************************************************************************************************************************************** ANRL - metal nitrides - BINARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A2B_mP6_6_3ab_ab-001.{AB} mP6 Pm - N2Re1 #6 metal-nitride; N2Re1, ICSD #187448 A2B_mC12_8_4a_2a-001.{AB} mC12 Cm - N2Re1 #8 metal-nitride; N2Re1, ICSD #187447 A3B_mC16_8_6a_b-001.{AB} mC16 Cm - N3Rb1 #8 metal-nitride; N3Rb1, ICSD #155169 A2B_mP6_11_2e_e-001.{AB} mP6 P2_{1}/m - N2Re1 #11 metal-nitride; N2Re1, ICSD #187444 AB6_mP14_11_e_6e-001.{AB} mP14 P2_{1}/m - Ba1N6 #11 metal-nitride; Ba1N6, ICSD #14244 A3B_mC8_12_di_a-001.{AB} mC8 C2/m - N3Na1 #12 metal-nitride; N3Na1, ICSD #29370 A3B_mC8_12_di_a-002.{AB} mC8 C2/m - N3Na1 #12 metal-nitride; N3Na1, ICSD #29376 AB3_mC8_12_a_di-002.{AB} mC8 C2/m - Li1N3 #12 metal-nitride; Li1N3, ICSD #34675 AB3_mC8_12_a_di-003.{AB} mC8 C2/m - Li1N3 #12 metal-nitride; Li1N3, ICSD #181559 A2B_mC12_12_2i_i-001.{AB} mC12 C2/m - N2Re1 #12 metal-nitride; N2Re1, ICSD #187441 AB_mC16_12_2i_2i-001.{AB} mC16 C2/m - N1Sr1 #12 metal-nitride; N1Sr1, ICSD #411555 A3B2_mC30_12_a4i_3i-001.{AB} mC30 C2/m - Ca3N2 #12 metal-nitride; Ca3N2, ICSD #162794 A3B2_mC30_12_a4i_3i-002.{AB} mC30 C2/m - Ca3N2 #12 metal-nitride; Ca3N2, ICSD #169726 A2B_mP6_13_g_e-001.{AB} mP6 P2/c - N2Re1 #13 metal-nitride; N2Re1, ICSD #187451 AB2_mP12_14_e_2e-001.{AB} mP12 P2_{1}/c - Ir1N2 #14 metal-nitride; Ir1N2, ICSD #160623 A2B_mP12_14_2e_e-004.{AB} mP12 P2_{1}/c - N2Os1 #14 metal-nitride; N2Os1, ICSD #240759 AB3_mP16_14_e_3e-001.{AB} mP16 P2_{1}/c - Hg2N6 #14 metal-nitride; Hg2N6, ICSD #98661 AB2_mC12_15_e_f-001.{AB} mC12 C2/c C_{g} Ba1N2 #15 metal-nitride; Ba1N2, ICSD #280681, equivalent to C2Th (C_{g}, http://aflow.org/prototype-encyclopedia/A2B_mC12_15_f_e.html, part 3) AB_oC16_36_2a_2a-001.{AB} oC16 Cmc2_{1} - N1Os1 #36 metal-nitride; N1Os1, ICSD #167514 AB_oP8_53_h_h-001.{AB} oP8 Pmna - N1Os1 #53 metal-nitride; N1Os1, ICSD #167513 A2B_oP12_57_e_c-001.{AB} oP12 Pbcm - N2Re1 #57 metal-nitride; N2Re1, ICSD #187450 A2B_oP6_58_g_a-002.{AB} oP6 Pnnm - N2Os1 #58 metal-nitride; N2Os1, ICSD #157283 A2B_oP6_58_g_a-003.{AB} oP6 Pnnm - N2Pt1 #58 metal-nitride; N2Pt1, ICSD #166463 AB2_oP6_58_a_g-004.{AB} oP6 Pnnm - Ir1N2 #58 metal-nitride; Ir1N2, ICSD #160620 AB2_oP6_58_a_g-005.{AB} oP6 Pnnm - Au1N2 #58 metal-nitride; Au1N2, ICSD #166465 A2B_oP12_60_d_c-001.{AB} oP12 Pbcn - Fe2N1 #60 metal-nitride; Fe2N1, ICSD #150889 similar to 1213.AB,1213.BA,1222.AB,1222.BA,1284.AB,1284.BA [HTQC], equivalent to zeta-Fe2N (http://aflow.org/prototype-encyclopedia/A2B_oP12_60_d_c.Fe2N.html, part 3) A2B_oP12_62_2c_c-005.{AB} oP12 Pnma - N2Re1 #62 metal-nitride; N2Re1, ICSD #187446 AB3_oP16_62_c_cd-002.{AB} oP16 Pnma - N1Na3 #62 metal-nitride; N1Na3, ICSD #165990 A3B_oP16_62_cd_c-002.{AB} oP16 Pnma - Fe3N1 #62 metal-nitride; Fe3N1, ICSD #260758 similar to 1076.AB,1076.BA [HTQC] AB_oC8_63_c_c-003.AB oC8 Cmcm - Al1N1 #63 metal-nitride; Al1N1, ICSD #163951 A5B3_oC32_63_c2f_cf-001.{AB} oC32 Cmcm - N5Ta3 #63 metal-nitride; N5Ta3, ICSD #16253 A5B3_oC32_63_c2f_cf-002.{AB} oC32 Cmcm - N5Ta3 #63 metal-nitride; N5Ta3, ICSD #66533 A2B_oC12_65_gj_e-001.{AB} oC12 Cmmm - N2Re1 #65 metal-nitride; N2Re1, ICSD #187452 AB_oI4_71_b_c-001.AB oI4 Immm - Cr1N1 #71 metal-nitride; Cr1N1, ICSD #53146 A2B_oI12_71_2e_f-001.{AB} oI12 Immm - N2Re1 #71 metal-nitride; N2Re1, ICSD #187449 AB_oI16_71_abe_n-001.{AB} oI16 Immm - Li2N2 #71 metal-nitride; Li2N2, ICSD #423831 AB3_oI16_72_b_cj-001.{AB} oI16 Ibam - Ag1N3 #72 metal-nitride; Ag1N3, ICSD #27135 A5B4_tI18_87_ah_h-001.{AB} tI18 I4/m - N5Nb4 #87 metal-nitride; N5Nb4, ICSD #26251 AB3_tI32_88_d_cf-001.{AB} tI32 I4_{1}/a - Cu1N3 #88 metal-nitride; Cu1N3, ICSD #30633, equivalent to Copper (I) Azide (CuN3, http://aflow.org/prototype-encyclopedia/AB3_tI32_88_d_cf.html, part 3) AB_tP2_123_d_a-001.AB tP2 P4/mmm - N1Pr1 #123 metal-nitride; N1Pr1, ICSD #168645 A3B_tP4_123_ag_d-001.{AB} tP4 P4/mmm - N3Rb1 #123 metal-nitride; N3Rb1, ICSD #16963 A3B_tP8_123_egh_ab-001.{AB} tP8 P4/mmm - Cu3N1 #123 metal-nitride; Cu3N1, ICSD #180237 A2B_tP6_127_g_b-001.{AB} tP6 P4/mbm - N2Re1 #127 metal-nitride; N2Re1, ICSD #187442 AB_tP4_131_e_c-001.{AB} tP4 P4_{2}/mmc - N1Tc1 #131 metal-nitride; N1Tc1, ICSD #187709 AB_tI4_139_a_b-001.AB tI4 I4/mmm - Mn1N1 #139 metal-nitride; Mn1N1, ICSD #106932 A3B2_tI10_139_ae_e-001.{AB} tI10 I4/mmm - Mn3N2 #139 metal-nitride; Mn3N2, ICSD #71638 A3B2_tI10_139_ae_e-002.{AB} tI10 I4/mmm - Mn3N2 #139 metal-nitride; Mn3N2, ICSD #84202 A3B4_tI14_139_ad_ce-001.{AB} tI14 I4/mmm - N3Nb4 #139 metal-nitride; N3Nb4, ICSD #76389 A8B_tI18_139_deh_a-001.{AB} tI18 I4/mmm D2_{g} Fe16N2 #139 metal-nitride; Fe16N2, ICSD #41953, equivalent to Fe8N (D2_{g}, http://aflow.org/prototype-encyclopedia/A8B_tI18_139_deh_a.html, part 3) AB3_tI16_140_a_dh-001.{AB} tI16 I4/mcm - K1N3 #140 metal-nitride; K1N3, ICSD #24007 AB3_tI16_140_a_dh-002.{AB} tI16 I4/mcm - Cs1N3 #140 metal-nitride; Cs1N3, ICSD #25008 AB3_tI16_140_a_dh-003.{AB} tI16 I4/mcm - Ag1N3 #140 metal-nitride; Ag1N3, ICSD #183201 AB3_tI16_140_a_ch-001.{AB} tI16 I4/mcm - Cu1N3 #140 metal-nitride; Cu1N3, ICSD #187018 AB3_tI16_140_c_ah-001.{AB} tI16 I4/mcm - K1N3 #140 metal-nitride; K1N3, ICSD #1145 AB2_tI12_141_a_e-001.{AB} tI12 I4_{1}/amd - N1Ti2 #141 metal-nitride; N1Ti2, ICSD #23403 A2B_tI12_141_e_a-003.{AB} tI12 I4_{1}/amd - Mo2N1 #141 metal-nitride; Mo2N1, ICSD #30593 similar to 725.AB,725.BA [HTQC] A3B_hR4_160_3a_a-001.{AB} hR4 R3m - N3Na1 #160 metal-nitride; N3Na1, ICSD #644523 A3B2_hR5_160_3a_2a-001.{AB} hR5 R3m - Be3N2 #160 metal-nitride; Be3N2, ICSD #185490 AB_hP16_162_ek_ci-001.{AB} hP16 P-31m - Mo1N1 #162 metal-nitride; Mo1N1, ICSD #43559 A2B_hP3_164_d_a-003.{AB} hP3 P-3m1 - N2Zr1 #164 metal-nitride; N2Zr1, ICSD #262746 similar to 190,191 [HTQC] A3B2_hP5_164_ad_d-002.{AB} hP5 P-3m1 - Ca3N2 #164 metal-nitride; Ca3N2, ICSD #162795 A3B2_hP5_164_ad_d-003.{AB} hP5 P-3m1 - Ca3N2 #164 metal-nitride; Ca3N2, ICSD #162796 A3B2_hP5_164_ad_d-004.{AB} hP5 P-3m1 - Ca3N2 #164 metal-nitride; Ca3N2, ICSD #169727 A3B2_hP5_164_ac_d-001.{AB} hP5 P-3m1 - N3V2 #164 metal-nitride; N3V2, ICSD #182700 AB_hP16_164_ci_di-001.{AB} hP16 P-3m1 - Mo1N1 #164 metal-nitride; Mo1N1, ICSD #60168 A2B_hR3_166_c_a-002.{AB} hR3 R-3m - Ca2N1 #166 metal-nitride; Ca2N1, ICSD #22231 A2B_hR3_166_c_a-003.{AB} hR3 R-3m - Ba2N1 #166 metal-nitride; Ba2N1, ICSD #409851 AB2_hR3_166_a_c-001.{AB} hR3 R-3m - N1Sr2 #166 metal-nitride; N1Sr2, ICSD #23530 similar to 692.AB,692.BA [HTQC] A3B_hR4_166_bc_a-002.{AB} hR4 R-3m - N3Na1 #166 metal-nitride; N3Na1, ICSD #1144 AB_hP4_186_b_b-002.AB hP4 P6_{3}mc - Ga1N1 #186 metal-nitride; Ga1N1, ICSD #153888 AB_hP4_186_b_b-003.AB hP4 P6_{3}mc - La1N1 #186 metal-nitride; La1N1, ICSD #162195 AB_hP4_186_b_b-004.AB hP4 P6_{3}mc - Mo1N1 #186 metal-nitride; Mo1N1, ICSD #168369 AB_hP4_186_b_a-002.{AB} hP4 P6_{3}mc - Ga1N1 #186 metal-nitride; Ga1N1, ICSD #159250 AB_hP16_186_ac_bc-001.{AB} hP16 P6_{3}mc - Mo1N1 #186 metal-nitride; Mo1N1, ICSD #76280 AB_hP2_187_d_a-002.AB hP2 P-6m2 - Ir1N1 #187 metal-nitride; Ir1N1, ICSD #186245 similar to 1015.AB [HTQC] AB2_hP3_187_a_h-001.{AB} hP3 P-6m2 - Hf1N2 #187 metal-nitride; Hf1N2, ICSD #290427 A2B_hP3_187_h_a-001.{AB} hP3 P-6m2 - N2W1 #187 metal-nitride; N2W1, ICSD #290433 similar to 695.AB,695.BA,1219.AB,1219.BA [HTQC] AB_hP6_189_f_ad-001.{AB} hP6 P-62m - N1Ta1 #189 metal-nitride; N1Ta1, ICSD #1396 similar to 721.AB,721.BA [HTQC] A2B_hP3_191_e_a-001.{AB} hP3 P6/mmm - N2Os1 #191 metal-nitride; N2Os1, ICSD #260545 AB_hP6_191_f_ad-002.{AB} hP6 P6/mmm - N1Ta1 #191 metal-nitride; N1Ta1, ICSD #25659 A2B_hP6_191_af_d-001.{AB} hP6 P6/mmm - N4Ta2 #191 metal-nitride; N4Ta2, ICSD #182351 AB_hP6_191_bc_ad-001.AB hP6 P6/mmm - N1Y1 #191 metal-nitride; N1Y1, ICSD #161079 A3B_hP8_193_g_b-001.{AB} hP8 P6_{3}/mcm - Ba3N1 #193 metal-nitride; Ba3N1, ICSD #77730 AB_hP4_194_c_a-002.{AB} hP4 P6_{3}/mmc - N1Nb1 #194 metal-nitride; N1Nb1, ICSD #76384 similar to 1031.AB,1031.BA,1232.AB,1232.BA [HTQC] AB_hP4_194_c_a-003.{AB} hP4 P6_{3}/mmc -/L'3_{0} N1Ta1 #194 metal-nitride; N1Ta1, ICSD #105123 similar to 1231.AB,1231.BA [HTQC], equivalent to Fe2N (L'3_{0}, http://aflow.org/prototype-encyclopedia/AB_hP4_194_c_a.Fe2N.html, part 3) AB_hP4_194_c_a-004.{AB} hP4 P6_{3}/mmc - N1Re1 #194 metal-nitride; N1Re1, ICSD #181300 similar to 1030.AB,1030.BA [HTQC] AB_hP4_194_c_a-005.{AB} hP4 P6_{3}/mmc - N1Nb1 #194 metal-nitride; N1Nb1, ICSD #185559 similar to 1030.AB,1030.BA,1232.AB,1232.BA [HTQC] AB_hP4_194_c_d-002.AB hP4 P6_{3}/mmc - Al1N1 #194 metal-nitride; Al1N1, ICSD #163950 AB_hP4_194_a_c-001.{AB} hP4 P6_{3}/mmc - Cd1N1 #194 metal-nitride; Cd1N1, ICSD #185566 similar to 1031.AB,1031.BA,1231.AB,1231.BA [HTQC] AB2_hP6_194_c_f-002.{AB} hP6 P6_{3}/mmc - N1Re2 #194 metal-nitride; N1Re2, ICSD #169882 similar to 1243.AB,1243.BA [HTQC] AB2_hP6_194_c_e-001.{AB} hP6 P6_{3}/mmc - Hf1N2 #194 metal-nitride; Hf1N2, ICSD #290428 A2B_hP6_194_e_c-001.{AB} hP6 P6_{3}/mmc - N2Ta1 #194 metal-nitride; N2Ta1, ICSD #290431 similar to 696.AB,696.BA [HTQC] AB_hP8_194_ac_f-002.{AB} hP8 P6_{3}/mmc - N1Nb1 #194 metal-nitride; N1Nb1, ICSD #76008 similar to 1264.AB,1264.BA [HTQC] A3B2_hP10_194_bf_ac-001.{AB} hP10 P6_{3}/mmc - Be3N2 #194 metal-nitride; Be3N2, ICSD #25656 A3B2_hP10_194_bf_ac-002.{AB} hP10 P6_{3}/mmc - Ca3N2 #194 metal-nitride; Ca3N2, ICSD #162797 A3B2_hP10_194_cf_f-001.{AB} hP10 P6_{3}/mmc - N3W2 #194 metal-nitride; N3W2, ICSD #186207 AB_hP16_194_bh_ag-001.{AB} hP16 P6_{3}/mmc - Mo1N1 #194 metal-nitride; Mo1N1, ICSD #106926 AB3_cI32_204_c_g-001.{AB} cI32 Im-3 - Co1N3 #204 metal-nitride; Co1N3, ICSD #162105 AB3_cI32_204_c_g-002.{AB} cI32 Im-3 - Co1N3 #204 metal-nitride; Co1N3, ICSD #162106 A4B_cP5_221_ac_b.{AB} cP5 Pm-3m - Mn4N1 #221 metal-nitride; Mn4N1, ICSD #44369 similar to 679.AB,679.BA [HTQC] AB4_cP5_221_a_bc.{AB} cP5 Pm-3m L'1_{0} N1Ni4 (Fe4N) #221 metal-nitride; N1Ni4, ICSD #76403, equivalent to Fe4N (http://aflow.org/prototype-encyclopedia/A4B_cP5_221_bc_a.html, part 3) A4B3_cP7_221_ac_d.{AB} cP7 Pm-3m - N4W3 #221 metal-nitride; N4W3, ICSD #30370 similar to 708.AB,708.BA,1256.AB,1256.BA [HTQC] ***************************************************************************************************************************************************** ANRL - metal nitrides - TERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB2C5_aP8_1_a_2a_5a-001.{ABC} aP8 P1 - Li1N2Na5 #1 metal-nitride; Li1N2Na5, ICSD #92316 AB2C5_mC16_5_a_c_a2bc-001.{ABC} mC16 C2 - Li1N2Na5 #5 metal-nitride; Li1N2Na5, ICSD #92315 A3B2C3_mP8_6_2ab_ab_a2b-001.{ABC} mP8 Pm - Li3N2Na3 #6 metal-nitride; Li3N2Na3, ICSD #92312 A5B2C_mP8_6_3a2b_ab_b-001.{ABC} mP8 Pm - Li5N2Na1 #6 metal-nitride; Li5N2Na1, ICSD #92314 A2BC2_mC20_12_2i_i_2i-001.{ABC} mC20 C2/m - Ca2Fe1N2 #12 metal-nitride; Ca2Fe1N2, ICSD #72389 AB2C12_mC30_12_a_i_6i-001.{ABC} mC30 C2/m - Cd1K2N12 #12 metal-nitride; Cd1K2N12, ICSD #31297 AB2C12_mC30_12_a_i_6i-002.{ABC} mC30 C2/m - Cd1K2N12 #12 metal-nitride; Cd1K2N12, ICSD #659621 ABC_mP12_14_e_e_e-001.{ABC} mP12 P2_{1}/c - Be1Li1N1 #14 metal-nitride; Be1Li1N1, ICSD #402341 ABC_oP12_62_c_c_c-002.{ABC} oP12 Pnma - Li1Mg1N1 #62 metal-nitride; Li1Mg1N1, ICSD #93259 AB2C_oC16_63_c_2c_c-002.{ABC} oC16 Cmcm - Au1Ca2N1 #63 metal-nitride; Au1Ca2N1, ICSD #85528 A2BC_oC16_63_2c_c_c-001.{ABC} oC16 Cmcm - Ca2In1N1 #63 metal-nitride; Ca2In1N1, ICSD #96228 ABC3_oC20_63_c_a_cf-001.{ABC} oC20 Cmcm - Al1N1Zr3 #63 metal-nitride; Al1N1Zr3, ICSD #29521 A3BC3_oC28_63_cg_c_cg-001.{ABC} oC28 Cmcm - Ca3Cr1N3 #63 metal-nitride; Ca3Cr1N3, ICSD #40205 A2BC_oC8_65_i_c_b-001.{ABC} oC8 Cmmm - Li4N2Na2 #65 metal-nitride; Li4N2Na2, ICSD #92307 A7B2C3_oC24_65_a2ij_i_cj-001.{ABC} oC24 Cmmm - Ca7N2Tl3 #65 metal-nitride; Ca7N2Tl3, ICSD #98178 A2BC3_oI12_71_e_a_de-001.{ABC} oI12 Immm - Ce2Mn1N3 #71 metal-nitride; Ce2Mn1N3, ICSD #50579 ABC_tP6_99_ab_ab_ab-001.{ABC} tP6 P4mm - Cr1N1Nb1 #99 metal-nitride; Cr1N1Nb1, ICSD #23779 A3B2C3_tP8_115_abc_g_de-001.{ABC} tP8 P-4m2 - Li3N2Na3 #115 metal-nitride; Li3N2Na3, ICSD #92311 ABC_tP3_123_c_a_b-001.{ABC} tP3 P4/mmm - Fe1N1Ni1 #123 metal-nitride; Fe1N1Ni1, ICSD #53505 A5B2C_tP8_123_ai_bc_d-001.{ABC} tP8 P4/mmm - Li5N2Na1 #123 metal-nitride; Li5N2Na1, ICSD #92313 ABC_tP6_129_c_c_c-001.{ABC} tP6 P4/nmm - Ca1Ga1N1 #129 metal-nitride; Ca1Ga1N1, ICSD #2027 ABC_tP6_129_c_c_c-002.{ABC} tP6 P4/nmm - Mo1N1Ta1 #129 metal-nitride; Mo1N1Ta1, ICSD #100437 ABC2_tP8_129_c_c_bc-001.{ABC} tP8 P4/nmm - Ba1Hf1N2 #129 metal-nitride; Ba1Hf1N2, ICSD #50994 ABC2_tP8_129_a_c_bc-001.{ABC} tP8 P4/nmm - Li2N2Na4 #129 metal-nitride; Li2N2Na4, ICSD #92309 ABC_tP6_131_e_c_b-001.{ABC} tP6 P4_{2}/mmc - Ca1N1Ni1 #131 metal-nitride; Ca1N1Ni1, ICSD #69044 ABC_tP6_131_b_c_e-001.{ABC} tP6 P4_{2}/mmc - Li1N1Sr1 #131 metal-nitride; Li1N1Sr1, ICSD #87414 A2BC_tI8_139_d_b_a-001.ABC/BCA/CAB tI8 I4/mmm - Li4N2Na2 #139 metal-nitride; Li4N2Na2, ICSD #92305 A2B2C_tI10_139_e_e_a-002.{ABC} tI10 I4/mmm - N2Sr2Zn1 #139 metal-nitride; N2Sr2Zn1, ICSD #80376 A2B2C_tI10_139_e_e_a-003.{ABC} tI10 I4/mmm - Ba2N2Zn1 #139 metal-nitride; Ba2N2Zn1, ICSD #80377 A3B6C2_tI22_139_ae_eg_e-001.{ABC} tI22 I4/mmm - La3N6V2 #139 metal-nitride; La3N6V2, ICSD #98477 A3B6C2_tI22_139_ae_eg_e-002.{ABC} tI22 I4/mmm - La3N6Nb2 #139 metal-nitride; La3N6Nb2, ICSD #411473 A2B2C_tI20_140_h_h_a-001.{ABC} tI20 I4/mcm - Be4N4Sr2 #140 metal-nitride; Be4N4Sr2, ICSD #413356 A2BC2_tI20_140_h_a_h-001.{ABC} tI20 I4/mcm - Be4Ca2N4 #140 metal-nitride; Be4Ca2N4, ICSD #413357 AB2C2_tI20_140_a_h_h-001.{ABC} tI20 I4/mcm - Ba1Be2N2 #140 metal-nitride; Ba1Be2N2, ICSD #415304 AB2C_hR4_160_a_2a_a-001.{ABC} hR4 R3m - Cr1N2W1 #160 metal-nitride; Cr1N2W1, ICSD #84639 A2B2C_hP5_164_d_d_a-001.{ABC} hP5 P-3m1 - Li2N2Zr1 #164 metal-nitride; Li2N2Zr1, ICSD #16231 A2B2C_hP5_164_d_d_a-002.{ABC} hP5 P-3m1 - Mg2N2Sr1 #164 metal-nitride; Mg2N2Sr1, ICSD #410826, equivalent to Ce2O2S (http://aflow.org/prototype-encyclopedia/A2B2C_hP5_164_d_d_a.html, part 3) AB2C2_hP5_164_a_d_d-001.{ABC} hP5 P-3m1 - Ce1Li2N2 #164 metal-nitride; Ce1Li2N2, ICSD #34003 AB2C_hR4_166_a_c_b-001.{ABC} hR4 R-3m - Cu1N2Ta1 #166 metal-nitride; Cu1N2Ta1, ICSD #71136 A3BC3_hP14_176_h_c_h-001.{ABC} hP14 P6_{3}/m - Ba3Fe1N3 #176 metal-nitride; Ba3Fe1N3, ICSD #36502 ABC_hP6_186_b_b_a-001.{ABC} hP6 P6_{3}mc - N1Na1Sn1 #186 metal-nitride; N1Na1Sn1, ICSD #172471 AB2C_hP8_186_a_ab_b-001.{ABC} hP8 P6_{3}mc - Mn1N2W1 #186 metal-nitride; Mn1N2W1, ICSD #80029 ABC_hP3_187_a_c_d-001.{ABC} hP3 P-6m2 - Li1N1Ni1 #187 metal-nitride; Li1N1Ni1, ICSD #247028 A5B3C3_hP11_189_dg_g_f-001.{ABC} hP11 P-62m - Li5N3Ni3 #189 metal-nitride; Li5N3Ni3, ICSD #411152 A2BC_hP4_191_c_a_b-001.{ABC} hP4 P6/mmm - Li2N1Na1 #191 metal-nitride; Li2N1Na1, ICSD #92308 ABC2_hP4_191_b_a_c-001.{ABC} hP4 P6/mmm - Li1N1Na2 #191 metal-nitride; Li1N1Na2, ICSD #92310 ABC2_hP8_194_c_a_f-001.{ABC} hP8 P6_{3}/mmc - Ba1Ce1N2 #194 metal-nitride; Ba1Ce1N2, ICSD #74791 AB2C_hP8_194_a_f_b-001.{ABC} hP8 P6_{3}/mmc - Fe1N2W1 #194 metal-nitride; Fe1N2W1, ICSD #75971 ABC2_hP8_194_a_c_f-001.{ABC} hP8 P6_{3}/mmc - Mg1Mo1N2 #194 metal-nitride; Mg1Mo1N2, ICSD #185913 A3BC_hP10_194_h_a_c-001.{ABC} hP10 P6_{3}/mmc - Ba3N1Na1 #194 metal-nitride; Ba3N1Na1, ICSD #67497 AB3C4_hP16_194_c_ae_2f-001.{ABC} hP16 P6_{3}/mmc - Al1N3V4 #194 metal-nitride; Al1N3V4, ICSD #181351 AB2C_cF32_227_b_c_a.{ABC} cF32 Fd-3m - Cs1N2Nb1 #227 metal-nitride; Cs1N2Nb1, ICSD #72546 ***************************************************************************************************************************************************** ANRL - metals - TERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- ABC2_mC16_8_b_2a_2ab-001.{ABC} mC16 Cm - Bi1Pb1Pd2 #8 metallic; Bi1Pb1Pd2, ICSD #58830 A2B4C3_mP9_10_m_2n_am-001.{ABC} mP9 P2/m - Co2Gd4Mg3 #10 metallic; Co2Gd4Mg3, ICSD #417035 A2B5C4_mP11_10_m_a2m_2n-001.{ABC} mP11 P2/m - Co2In5Zr4 #10 metallic; Co2In5Zr4, ICSD #55578 AB2C2_mP10_11_e_2e_2e-001.ABC/BCA/CAB mP10 P2_{1}/m - Ba1Bi2Pd2 #11 metallic; Ba1Bi2Pd2, ICSD #416299 A2BC2_mP10_11_2e_e_2e-001.ABC/BCA/CAB mP10 P2_{1}/m - Sn2Sr1Zn2 #11 metallic; Sn2Sr1Zn2, ICSD #424108 A2B4C_mP14_11_2e_4e_e-001.{ABC} mP14 P2_{1}/m - Au2In4Yb1 #11 metallic; Au2In4Yb1, ICSD #261042 A2BC2_mC10_12_i_a_i-001.{ABC} mC10 C2/m - Cu2Eu1Sn2 #12 metallic; Cu2Eu1Sn2, ICSD #182050 ABC_mC12_12_i_i_i-001.{ABC} mC12 C2/m - Al1Ce1Co1 #12 metallic; Al1Ce1Co1, ICSD #20632 A3B2C2_mC14_12_ai_i_i-001.{ABC} mC14 C2/m - In3Rh2Sr2 #12 metallic; In3Rh2Sr2, ICSD #410985 A6B2C_mC18_12_3i_i_a-001.{ABC} mC18 C2/m - Na6Sn2Zn1 #12 metallic; Na6Sn2Zn1, ICSD #260159 A2B5C4_mC22_12_i_a2i_2i-001.{ABC} mC22 C2/m - Mn2Sn5Yb4 #12 metallic; Mn2Sn5Yb4, ICSD #419134 A3B4C8_mC30_12_ai_hi_2ij-001.{ABC} mC30 C2/m - Ba3Li4Sn8 #12 metallic; Ba3Li4Sn8, ICSD #240016 A6B2C7_mC30_12_3i_i_a3i-001.{ABC} mC30 C2/m - Ca6Cu2Sn7 #12 metallic; Ca6Cu2Sn7, ICSD #171243 AB2C2_mC20_15_e_f_f-001.{ABC} mC20 C2/c - In1Pd2Sr2 #15 metallic; In1Pd2Sr2, ICSD #391432 A2B4C_mC28_15_f_2f_e-001.{ABC} mC28 C2/c - Na2Sn4Sr1 #15 metallic; Na2Sn4Sr1, ICSD #261117 ABC2_oC16_20_b_a_c-001.{ABC} oC16 C222_{1} - Ag1Bi1K2 #20 metallic; Ag1Bi1K2, ICSD #1156 ABC_oP12_33_a_a_a-001.ABC/BCA/CAB oP12 Pna2_{1} - Ce1Pd1Sn1 #33 metallic; Ce1Pd1Sn1, ICSD #106418 ABC_oC12_36_a_a_a-001.ABC/BCA/CAB oC12 Cmc2_{1} - Ag1Ce1Sn1 #36 metallic; Ag1Ce1Sn1, ICSD #55819 ABC2_oC32_36_b_2a_2ab-001.{ABC} oC32 Cmc2_{1} - Bi1Pb1Pd2 #36 metallic; Bi1Pb1Pd2, ICSD #56278 ABC_oC18_38_ad_be_bd-001.{ABC} oC18 Amm2 - In1Nd1Rh1 #38 metallic; In1Nd1Rh1, ICSD #59430 A10BC3_oP14_47_2q2rs_h_bt-001.{ABC} oP14 Pmmm - Ga10Ni1Pr3 #47 metallic; Ga10Ni1Pr3, ICSD #20663 ABC2_oP8_51_f_e_be-001.{ABC} oP8 Pmma - In1La1Ni2 #51 metallic; In1La1Ni2, ICSD #106800 A2BC_oP8_51_ae_f_f-001.{ABC} oP8 Pmma - Co2Ga1La1 #51 metallic; Co2Ga1La1, ICSD #623100 A4BC_oP12_51_afj_e_e-001.{ABC} oP12 Pmma - Al4Co1La1 #51 metallic; Al4Co1La1, ICSD #9986 A3B2C_oP12_51_ak_ef_f-001.{ABC} oP12 Pmma - Au3Rb2Tl1 #51 metallic; Au3Rb2Tl1, ICSD #249924 AB4C_oP12_51_e_afj_e-001.{ABC} oP12 Pmma - Ca1In4Rh1 #51 metallic; Ca1In4Rh1, ICSD #410891 ABC_oP12_57_c_d_d-001.{ABC} oP12 Pbcm - Al1Ca1Pd1 #57 metallic; Al1Ca1Pd1, ICSD #370036 AB2C_oP16_57_d_2d_c-001.{ABC} oP16 Pbcm - Bi1K2Sn1 #57 metallic; Bi1K2Sn1, ICSD #107616 AB2C_oP8_59_a_e_b-001.ABC/BCA/CAB oP8 Pmmn - Cu1Ni2Ti1 #59 metallic; Cu1Ni2Ti1, ICSD #628580 A3B3C_oP14_59_ae_ae_b-001.{ABC} oP14 Pmmn - Au3In3Sr1 #59 metallic; Au3In3Sr1, ICSD #245679 AB3C4_oP16_59_b_ae_ef-001.{ABC} oP16 Pmmn - Au1K3Sn4 #59 metallic; Au1K3Sn4, ICSD #107444 AB3C4_oP16_59_b_ae_ef-002.{ABC} oP16 Pmmn - Au1Cs3Pb4 #59 metallic; Au1Cs3Pb4, ICSD #107448 ABC_oP12_62_c_c_c-003.{ABC} oP12 Pnma - Ca1Mg1Sn1 #62 metallic; Ca1Mg1Sn1, ICSD #42757, equivalent to CuMnP (http://aflow.org/prototype-encyclopedia/ABC_oP12_62_c_c_c.html, part 3) ABC_oP12_62_c_c_c-004.ABC/BCA/CAB oP12 Pnma - Ni1Sn1Tb1 #62 metallic; Ni1Sn1Tb1, ICSD #54301 ABC_oP12_62_c_c_c-005.{ABC} oP12 Pnma - Co1Dy1Sn1 #62 metallic; Co1Dy1Sn1, ICSD #54415 ABC_oP12_62_c_c_c-006.{ABC} oP12 Pnma - Bi1Ca1Li1 #62 metallic; Bi1Ca1Li1, ICSD #58762 ABC_oP12_62_c_c_c-007.{ABC} oP12 Pnma - Ni1Sc1Sn1 #62 metallic; Ni1Sc1Sn1, ICSD #105338 ABC_oP12_62_c_c_c-008.ABC/BCA/CAB oP12 Pnma - Co1Dy1Sn1 #62 metallic; Co1Dy1Sn1, ICSD #106459 ABC_oP12_62_c_c_c-009.ABC/BCA/CAB oP12 Pnma - La1Ni1Sn1 #62 metallic; La1Ni1Sn1, ICSD #108571 ABC_oP12_62_c_c_c-010.{ABC} oP12 Pnma - Al1Ce1Pt1 #62 metallic; Al1Ce1Pt1, ICSD #150172 ABC_oP12_62_c_c_c-011.{ABC} oP12 Pnma - La1Ni1Sn1 #62 metallic; La1Ni1Sn1, ICSD #157921 ABC_oP12_62_c_c_c-012.{ABC} oP12 Pnma - Pt1Yb1Zn1 #62 metallic; Pt1Yb1Zn1, ICSD #159305 ABC_oP12_62_c_c_c-013.{ABC} oP12 Pnma - Er1Ga1Rh1 #62 metallic; Er1Ga1Rh1, ICSD #630573 ABC_oP12_62_c_c_c-014.{ABC} oP12 Pnma - Ga1Pd1Sc1 #62 metallic; Ga1Pd1Sc1, ICSD #635080 AB2C_oP16_62_c_d_c-001.{ABC} oP16 Pnma - Ca1Cd2Pd1 #62 metallic; Ca1Cd2Pd1, ICSD #425509 AB2C_oP16_62_c_d_c-002.{ABC} oP16 Pnma - Ga1Pd2Y1 #62 metallic; Ga1Pd2Y1, ICSD #602790 ABC_oC12_63_c_c_c-001.{ABC} oC12 Cmcm - Mg1Ni1Tb1 #63 metallic; Mg1Ni1Tb1, ICSD #166874 ABC_oC12_63_c_c_a-001.{ABC} oC12 Cmcm - Pt1Sc1Zn1 #63 metallic; Pt1Sc1Zn1, ICSD #424600 A2BC_oC16_63_f_c_c-001.{ABC} oC16 Cmcm - Al2Co1Y1 #63 metallic; Al2Co1Y1, ICSD #57645 A2BC_oC16_63_f_c_c-002.{ABC} oC16 Cmcm E1_{1} Al2Cu1Mg1 #63 metallic; Al2Cu1Mg1, ICSD #57693, equivalent to Al2CuMg (E1_{a}, http://aflow.org/prototype-encyclopedia/A2BC_oC16_63_f_c_c.html, part 3) ABC2_oC16_63_a_c_g-001.{ABC} oC16 Cmcm - Au1Bi1Li2 #63 metallic; Au1Bi1Li2, ICSD #261785 ABC2_oC16_63_a_c_g-002.{ABC} oC16 Cmcm - Au1Bi1Li2 #63 metallic; Au1Bi1Li2, ICSD #261786 ABC2_oC16_63_a_c_g-003.{ABC} oC16 Cmcm - Au1Bi1Na2 #63 metallic; Au1Bi1Na2, ICSD #261788 ABC2_oC16_63_a_c_g-004.{ABC} oC16 Cmcm - Au1Bi1K2 #63 metallic; Au1Bi1K2, ICSD #380341 ABC2_oC16_63_c_c_2c-001.{ABC} oC16 Cmcm - Ba1Cu1Sn2 #63 metallic; Ba1Cu1Sn2, ICSD #58647 ABC2_oC16_63_c_c_2c-002.{ABC} oC16 Cmcm - Co1Ho1Sn2 #63 metallic; Co1Ho1Sn2, ICSD #240098 ABC2_oC16_63_c_c_2c-003.{ABC} oC16 Cmcm - Ce1Ni1Sn2 #63 metallic; Ce1Ni1Sn2, ICSD #621687 AB2C_oC16_63_c_2c_c-003.{ABC} oC16 Cmcm - Co1Sn2Tb1 #63 metallic; Co1Sn2Tb1, ICSD #240096 AB2C_oC16_63_c_f_c-001.{ABC} oC16 Cmcm - La1Mg2Ni1 #63 metallic; La1Mg2Ni1, ICSD #96152 A2BC_oC16_63_g_c_c-001.{ABC} oC16 Cmcm - Cd2Cu1Er1 #63 metallic; Cd2Cu1Er1, ICSD #99139 A2BC_oC16_63_f_c_c-003.{ABC} oC16 Cmcm - Ga2Ni1Sc1 #63 metallic; Ga2Ni1Sc1, ICSD #103875 A2BC_oC16_63_f_c_c-004.{ABC} oC16 Cmcm - Mg2Pd1Sr1 #63 metallic; Mg2Pd1Sr1, ICSD #425493 A2BC_oC16_63_f_c_c-005.{ABC} oC16 Cmcm - Al2Ce1Pt1 #63 metallic; Al2Ce1Pt1, ICSD #658140 A2B2C_oC20_63_g_2c_a-001.{ABC} oC20 Cmcm - Bi2Cs2Pt1 #63 metallic; Bi2Cs2Pt1, ICSD #658701 A4BC_oC24_63_acf_c_c-001.{ABC} oC24 Cmcm - Al4Dy1Ni1 #63 metallic; Al4Dy1Ni1, ICSD #57760 AB3C2_oC24_63_c_cg_e-001.{ABC} oC24 Cmcm - Ca1Ga3Ni2 #63 metallic; Ca1Ga3Ni2, ICSD #58898 A3BC3_oC28_63_cf_a_cf-001.{ABC} oC28 Cmcm - Co3Ga1Y3 #63 metallic; Co3Ga1Y3, ICSD #10044 ABC2_oC32_63_ac_f_2cf-001.{ABC} oC32 Cmcm - La1Rh1Sn2 #63 metallic; La1Rh1Sn2, ICSD #410732 A2B2C_oC10_65_j_i_a-001.{ABC} oC10 Cmmm - Ho2Ni2Pb1 #65 metallic; Ho2Ni2Pb1, ICSD #54612 A2B3C_oC12_65_i_cf_a-001.{ABC} oC12 Cmmm - Al2Ni3Pr1 #65 metallic; Al2Ni3Pr1, ICSD #107864 A3B2C2_oC14_65_aj_j_i-001.{ABC} oC14 Cmmm - Mg3Ni2Tb2 #65 metallic; Mg3Ni2Tb2, ICSD #240761 A2BC_oC16_65_aci_j_i-001.{ABC} oC16 Cmmm - Ga2Nd1Ni1 #65 metallic; Ga2Nd1Ni1, ICSD #103850 A2BC6_oC18_65_j_a_2ij-001.{ABC} oC18 Cmmm - Dy2Ni1Sn6 #65 metallic; Dy2Ni1Sn6, ICSD #165783 A3B2C7_oC24_65_aj_i_c2ij-001.{ABC} oC24 Cmmm - Ce3Ni2Sn7 #65 metallic; Ce3Ni2Sn7, ICSD #102239 A3B2C7_oC24_65_aj_i_c2ij-002.{ABC} oC24 Cmmm - La3Ni2Sn7 #65 metallic; La3Ni2Sn7, ICSD #160913 A2B2C_oI10_71_f_h_a-001.{ABC} oI10 Immm - Ce2Ni2Sn1 #71 metallic; Ce2Ni2Sn1, ICSD #55495 A2B2C_oI10_71_f_h_a-002.{ABC} oI10 Immm - Ca2Cu2Ga1 #71 metallic; Ca2Cu2Ga1, ICSD #58885 A2B2C3_oI14_71_e_f_af-001.{ABC} oI14 Immm - Al2Sn2Sr3 #71 metallic; Al2Sn2Sr3, ICSD #9564 A5B2C_oI16_71_an_e_d-001.{ABC} oI16 Immm - Al5Ni2Pr1 #71 metallic; Al5Ni2Pr1, ICSD #58046 A4B3C4_oI22_71_n_af_eg-001.{ABC} oI22 Immm - Ag8Ce6Sn8 #71 metallic; Ag8Ce6Sn8, ICSD #55826 A4B3C4_oI22_71_n_af_eg-002.{ABC} oI22 Immm - Ag8Pr6Sn8 #71 metallic; Ag8Pr6Sn8, ICSD #55827 A4B3C4_oI22_71_n_af_eh-001.{ABC} oI22 Immm - Ag4Dy3Sn4 #71 metallic; Ag4Dy3Sn4, ICSD #156968 A3B4C4_oI22_71_af_eh_n-001.{ABC} oI22 Immm - La3Pd4Zn4 #71 metallic; La3Pd4Zn4, ICSD #182774 A6B6C_oI26_71_hk_efg_a-001.{ABC} oI26 Immm - Fe6Ga6Sc1 #71 metallic; Fe6Ga6Sc1, ICSD #103465 A3B3C8_oI28_71_cg_be_2n-001.{ABC} oI28 Immm - Ag3Er3Ga8 #71 metallic; Ag3Er3Ga8, ICSD #605107 A3B3C8_oI28_71_cg_be_2n-002.{ABC} oI28 Immm - Au3Er3Ga8 #71 metallic; Au3Er3Ga8, ICSD #611824 A3B10C_oI28_71_be_g2n_c-001.{ABC} oI28 Immm - Ba3Hg10In1 #71 metallic; Ba3Hg10In1, ICSD #290305 A6B5C3_oI28_71_gn_cn_be-001.{ABC} oI28 Immm - Cu6Sn5Yb3 #71 metallic; Cu6Sn5Yb3, ICSD #413485 A9B3C2_oI28_71_c2n_be_g-001.{ABC} oI28 Immm - Ga9Ho3Pd2 #71 metallic; Ga9Ho3Pd2, ICSD #634397 A2B2C_oI20_72_j_j_a-001.{ABC} oI20 Ibam - Ba2Bi2Zn1 #72 metallic; Ba2Bi2Zn1, ICSD #421424 ABC3_tI10_107_a_a_ab-001.{ABC} tI10 I4mm - Ba1Ni1Sn3 #107 metallic; Ba1Ni1Sn3, ICSD #58662, equivalent to BaNiSn3 (http://aflow.org/prototype-encyclopedia/ABC3_tI10_107_a_a_ab.html, part 3) A3BC_tI10_107_ab_a_a-001.{ABC} tI10 I4mm - Al3Cu1Pr1 #107 metallic; Al3Cu1Pr1, ICSD #290390 A3BC_tI10_119_bf_a_c-001.{ABC} tI10 I-4m2 - In3Mg1Sr1 #119 metallic; In3Mg1Sr1, ICSD #249592 AB4C2_tI28_120_d_i_e-001.{ABC} tI28 I-4c2 - Ce1Ni4Sn2 #120 metallic; Ce1Ni4Sn2, ICSD #102238 A4B6C_tI22_121_i_ci_a-001.{ABC} tI22 I-42m - Ru4Sn6Y1 #121 metallic; Ru4Sn6Y1, ICSD #54354 ABC2_tP4_123_a_c_e-002.ABC/BCA/CAB tP4 P4/mmm - Fe1Ni1Pt2 #123 metallic; Fe1Ni1Pt2, ICSD #42564 AB2C_tP4_123_b_h_a-001.ABC/BCA/CAB tP4 P4/mmm - Cd1Pt2Zn1 #123 metallic; Cd1Pt2Zn1, ICSD #102057 AB4C_tP6_123_b_i_a-001.{ABC} tP6 P4/mmm - Co1Ga4Hf1 #123 metallic; Co1Ga4Hf1, ICSD #623081 AB5C_tP7_123_a_ci_b-001.{ABC} tP7 P4/mmm - Co1In5Tb1 #123 metallic; Co1In5Tb1, ICSD #623944 AB6C_tP8_123_a_hi_b-001.{ABC} tP8 P4/mmm - Ce1Ga6Pd1 #123 metallic; Ce1Ga6Pd1, ICSD #240161 AB8C2_tP11_123_a_ehi_g-001.{ABC} tP11 P4/mmm - Co1Ga8Ho2 #123 metallic; Co1Ga8Ho2, ICSD #42426 AB8C2_tP11_123_a_ehi_g-002.{ABC} tP11 P4/mmm - Fe1Ga8Ho2 #123 metallic; Fe1Ga8Ho2, ICSD #180132 A2BC2_tP10_127_g_a_h-001.{ABC} tP10 P4/mbm - Ni2Sn1Zr2 #127 metallic; Ni2Sn1Zr2, ICSD #54303 AB2C2_tP10_127_a_g_h-001.{ABC} tP10 P4/mbm - Al1Cu2Re2 #127 metallic; Al1Cu2Re2, ICSD #57706 A2BC_tP8_129_bc_c_a-001.{ABC} tP8 P4/nmm - Sn2Tb1Zn1 #129 metallic; Sn2Tb1Zn1, ICSD #163425 A2BC_tP8_129_bc_c_a-002.{ABC} tP8 P4/nmm - Bi2La1Li1 #129 metallic; Bi2La1Li1, ICSD #415728 AB2C2_tP10_129_c_ac_bc-001.ABC/BCA/CAB tP10 P4/nmm - Nd1Ni2Sn2 #129 metallic; Nd1Ni2Sn2, ICSD #160053 AB2C2_tP10_129_c_bc_ac-001.ABC/BCA/CAB tP10 P4/nmm - Eu1Sn2Zn2 #129 metallic; Eu1Sn2Zn2, ICSD #162267, equivalent to Be2CaGe2 (http://aflow.org/prototype-encyclopedia/A2BC2_tP10_129_ac_c_bc.html, part 3) A2BC2_tP10_129_bc_c_ac-001.ABC/BCA/CAB tP10 P4/nmm - Bi2Ce1Ni2 #129 metallic; Bi2Ce1Ni2, ICSD #616562 A2BC4_tP14_129_ac_b_j-001.{ABC} tP14 P4/nmm - Ce2Ru1Zn4 #129 metallic; Ce2Ru1Zn4, ICSD #418547 AB2C_tI8_139_b_d_a-001.ABC/BCA/CAB tI8 I4/mmm - Li1Pd2Tl1 #139 metallic; Li1Pd2Tl1, ICSD #54365 A2BC_tI8_139_d_a_b-001.ABC/BCA/CAB tI8 I4/mmm - Co2Ga1Ni1 #139 metallic; Co2Ga1Ni1, ICSD #169733 AB2C2_tI10_139_a_d_e-001.{ABC} tI10 I4/mmm - Ba1Mn2Sn2 #139 metallic; Ba1Mn2Sn2, ICSD #405 A2BC2_tI10_139_d_a_e-001.{ABC} tI10 I4/mmm - Ag2Ba1Sn2 #139 metallic; Ag2Ba1Sn2, ICSD #25332 A2BC2_tI10_139_d_a_e-002.{ABC} tI10 I4/mmm - Al2Ce1Ga2 #139 metallic; Al2Ce1Ga2, ICSD #55789 A2BC2_tI10_139_d_a_e-003.{ABC} tI10 I4/mmm - Al2Ca1Zn2 #139 metallic; Al2Ca1Zn2, ICSD #57550 ABC_tI12_139_c_e_e-001.{ABC} tI12 I4/mmm - Mg1Pr1Sn1 #139 metallic; Mg1Pr1Sn1, ICSD #182479 ABC_tI12_139_e_c_e-001.ABC/BCA/CAB tI12 I4/mmm - Au1Cu1Sn1 #139 metallic; Au1Cu1Sn1, ICSD #611768 A4B2C_tI14_139_h_d_a-001.{ABC} tI14 I4/mmm - Al4Mo2Yb1 #139 metallic; Al4Mo2Yb1, ICSD #456 AB4C2_tI14_139_a_h_d-001.{ABC} tI14 I4/mmm - Er1Ga4Ti2 #139 metallic; Er1Ga4Ti2, ICSD #630579 A5B2C_tI16_139_bg_e_a-001.{ABC} tI16 I4/mmm - Al5Ni2Zr1 #139 metallic; Al5Ni2Zr1, ICSD #58084 A2BC_tI16_139_ce_e_d-001.{ABC} tI16 I4/mmm - Bi2Sr1Zn1 #139 metallic; Bi2Sr1Zn1, ICSD #41924 AB2C_tI16_139_e_ce_d-001.{ABC} tI16 I4/mmm - Ba1Bi2Cd1 #139 metallic; Ba1Bi2Cd1, ICSD #58635 AB2C_tI16_139_e_ce_d-002.{ABC} tI16 I4/mmm - Ba1Bi2Zn1 #139 metallic; Ba1Bi2Zn1, ICSD #58638 A2B5C3_tI20_139_e_bg_ae-001.{ABC} tI20 I4/mmm - K2Mg5Sn3 #139 metallic; K2Mg5Sn3, ICSD #421342 A8BC4_tI26_139_ij_a_f-001.{ABC} tI26 I4/mmm - Al8Ca1Cu4 #139 metallic; Al8Ca1Cu4, ICSD #57539 A4B8C_tI26_139_i_fj_a-001.{ABC} tI26 I4/mmm - Cr4Fe8Y1 #139 metallic; Cr4Fe8Y1, ICSD #168240 A8B4C_tI26_139_ij_f_a-001.{ABC} tI26 I4/mmm - Al8Mn4Y1 #139 metallic; Al8Mn4Y1, ICSD #57997 ABC4_tI24_140_a_c_l-001.{ABC} tI24 I4/mcm - Ir1Li1Sn4 #140 metallic; Ir1Li1Sn4, ICSD #172149 A2BC4_tI28_140_h_a_k-001.{ABC} tI28 I4/mcm - Bi2Mn1Ti4 #140 metallic; Bi2Mn1Ti4, ICSD #150145 A4B2C_tI28_140_l_h_a-001.{ABC} tI28 I4/mcm - Cu4Sn2Sr1 #140 metallic; Cu4Sn2Sr1, ICSD #182104, equivalent to Sb2SiV4 (http://aflow.org/prototype-encyclopedia/A2BC4_tI28_140_h_a_k.html, part 3) AB5C2_tI32_140_a_cl_h-001.{ABC} tI32 I4/mcm - Bi1Er5Pt2 #140 metallic; Bi1Er5Pt2, ICSD #107217 A3B4C_tI32_140_ah_l_c-001.{ABC} tI32 I4/mcm - Bi3In4Pb1 #140 metallic; Bi3In4Pb1, ICSD #616725 AB5C2_tI32_140_a_bk_h-001.{ABC} tI32 I4/mcm - Ga1Nb5Sn2 #140 metallic; Ga1Nb5Sn2, ICSD #103842 A2BC5_tI32_140_h_a_cl-001.{ABC} tI32 I4/mcm - Au2Bi1Tb5 #140 metallic; Au2Bi1Tb5, ICSD #156956 AB2C5_tI32_140_a_h_cl-001.{ABC} tI32 I4/mcm - Bi1Co2Ho5 #140 metallic; Bi1Co2Ho5, ICSD #161658 A4B7C3_hR14_146_ab_a2b_b-001.{ABC} hR14 R3 - Ga4Pd7Zn3 #146 metallic; Ga4Pd7Zn3, ICSD #103911 ABC_hP9_156_3a_b2c_2bc-001.{ABC} hP9 P3m1 - Ca1Li1Sn1 #156 metallic; Ca1Li1Sn1, ICSD #58911 A5BC4_hR10_160_5a_a_4a-001.{ABC} hR10 R3m - Li5Na1Sn4 #160 metallic; Li5Na1Sn4, ICSD #12142 A2BC3_hP6_164_d_a_bd-002.{ABC} hP6 P-3m1 - Bi2La1Li3 #164 metallic; Bi2La1Li3, ICSD #616769 A2BC_hR4_166_c_b_a-001.{ABC} hR4 R-3m - Cu2Ga1Sr1 #166 metallic; Cu2Ga1Sr1, ICSD #102938 AB2C_hR4_166_a_c_b-002.{ABC} hR4 R-3m - Ba1Cu2Ga1 #166 metallic; Ba1Cu2Ga1, ICSD #615828 AB2C4_hR7_166_a_c_2c-001.{ABC} hR7 R-3m - Au1Ni2Sn4 #166 metallic; Au1Ni2Sn4, ICSD #150127 AB4C6_hR11_166_a_2c_h-001.{ABC} hR11 R-3m - Gd1Sn4Ti6 #166 metallic; Gd1Sn4Ti6, ICSD #166193 A2BC_hR12_166_h_bc_ac-001.{ABC} hR12 R-3m - Al2Cu1Yb1 #166 metallic; Al2Cu1Yb1, ICSD #604213 A7B3C2_hR12_166_bh_ac_c-001.{ABC} hR12 R-3m - Al7Ca3Cu2 #166 metallic; Al7Ca3Cu2, ICSD #57538 AB2C9_hR12_166_a_c_bch-001.{ABC} hR12 R-3m - La1Mg2Ni9 #166 metallic; La1Mg2Ni9, ICSD #55614 A9B2C_hR12_166_eh_c_a-001.{ABC} hR12 R-3m - Ni3Ti0.67Zr0.33 #166 metallic; Ni3Ti0.67Zr0.33, ICSD #646978 AB2C_hR12_166_bc_h_ac-001.{ABC} hR12 R-3m - Ag1Al2Pr1 #166 metallic; Ag1Al2Pr1, ICSD #604688 A2B7C3_hR12_166_c_bh_ac-001.{ABC} hR12 R-3m - Ag2Al7Ca3 #166 metallic; Ag2Al7Ca3, ICSD #104173 A7B4C2_hR13_166_ah_2c_c-001.{ABC} hR13 R-3m - Au7Rb4Sn2 #166 metallic; Au7Rb4Sn2, ICSD #58581 A3B2C2_hR14_166_3c_2c_abc-001.{ABC} hR14 R-3m - Au3Sn2Yb2 #166 metallic; Au3Sn2Yb2, ICSD #710044 ABC_hP6_186_b_b_a-002.ABC/BCA/CAB hP6 P6_{3}mc - Cu1Sn1Ti1 #186 metallic; Cu1Sn1Ti1, ICSD #54657 ABC_hP6_186_b_a_b-001.ABC/BCA/CAB hP6 P6_{3}mc - Au1Pr1Sn1 #186 metallic; Au1Pr1Sn1, ICSD #54997 ABC_hP6_186_b_a_b-002.{ABC} hP6 P6_{3}mc - Bi1Li1Zn1 #186 metallic; Bi1Li1Zn1, ICSD #100115 ABC_hP6_186_a_b_b-001.ABC/BCA/CAB hP6 P6_{3}mc - Ce1Cu1Sn1 #186 metallic; Ce1Cu1Sn1, ICSD #156394 A4BC_hP12_186_ac_b_b-001.ABC/BCA/CAB hP12 P6_{3}mc - Cu4In1Mn1 #186 metallic; Cu4In1Mn1, ICSD #424277 A3BC4_hP16_186_a2b_b_2a2b-001.{ABC} hP16 P6_{3}mc - Au3Li1Sn4 #186 metallic; Au3Li1Sn4, ICSD #412207 ABC_hP6_187_i_h_ab-001.ABC/BCA/CAB hP6 P-6m2 - Au1Ga1Zr1 #187 metallic; Au1Ga1Zr1, ICSD #156264 A4BC_hP6_187_hi_b_a-001.ABC/BCA/CAB hP6 P-6m2 - Ga4Li1Y1 #187 metallic; Ga4Li1Y1, ICSD #98666 ABC_hP9_187_dh_ai_eg-001.{ABC} hP9 P-6m2 - Ca1Li1Pb1 #187 metallic; Ca1Li1Pb1, ICSD #409533 A5B5C_hP11_187_hk_cgi_a-001.{ABC} hP11 P-6m2 - Al5Ba5Pb1 #187 metallic; Al5Ba5Pb1, ICSD #416337 A4B6C_hP11_187_ck_jk_a-001.{ABC} hP11 P-6m2 - Au4In6K1 #187 metallic; Au4In6K1, ICSD #249520 A3B2C3_hP8_189_f_c_g-001.{ABC} hP8 P-62m - In3Rh2Ti3 #189 metallic; In3Rh2Ti3, ICSD #410967 ABC_hP9_189_g_f_ad-001.{ABC} hP9 P-62m - Bi1Dy1Rh1 #189 metallic; Bi1Dy1Rh1, ICSD #51845, equivalent to ZlNiZr (http://aflow.org/prototype-encyclopedia/ABC_hP9_189_g_ad_f.html, part 3) AB2C6_hP9_189_b_c_fg-001.{ABC} hP9 P-62m - Co1Ga2Zr6 #189 metallic; Co1Ga2Zr6, ICSD #20876 A5B3C_hP9_189_cf_g_b-001.{ABC} hP9 P-62m - Ga5Lu3Ni1 #189 metallic; Ga5Lu3Ni1, ICSD #634575 ABC_hP9_189_g_bc_f-001.{ABC} hP9 P-62m - Pb1Pd1Y1 #189 metallic; Pb1Pd1Y1, ICSD #54315 A2BC6_hP9_189_c_b_fg-001.{ABC} hP9 P-62m - Bi2Fe1Ho6 #189 metallic; Bi2Fe1Ho6, ICSD #96253 ABC_hP9_189_f_bc_g-001.{ABC} hP9 P-62m - Mg1Sn1Yb1 #189 metallic; Mg1Sn1Yb1, ICSD #54344 ABC_hP9_189_f_bc_g-002.{ABC} hP9 P-62m - Ga1Ni1Ti1 #189 metallic; Ga1Ni1Ti1, ICSD #103885 ABC_hP9_189_f_g_bc-001.{ABC} hP9 P-62m - Al1Dy1Ni1 #189 metallic; Al1Dy1Ni1, ICSD #107416 ABC_hP9_189_f_g_bc-002.{ABC} hP9 P-62m - Al1Hf1Pt1 #189 metallic; Al1Hf1Pt1, ICSD #608141 ABC_hP9_189_f_g_bc-003.{ABC} hP9 P-62m - Al1Nd1Ni1 #189 metallic; Al1Nd1Ni1, ICSD #608770 ABC_hP9_189_bc_f_g-001.{ABC} hP9 P-62m - Cu1In1Tb1 #189 metallic; Cu1In1Tb1, ICSD #628137 A3B2C_hP6_191_g_c_a-001.{ABC} hP6 P6/mmm - Ag3Al2La1 #191 metallic; Ag3Al2La1, ICSD #57329 A3B2C_hP6_191_g_c_a-002.{ABC} hP6 P6/mmm - Co3Ga2Tb1 #191 metallic; Co3Ga2Tb1, ICSD #102452 A2BC3_hP6_191_c_a_g-001.{ABC} hP6 P6/mmm - Cu2Dy1In3 #191 metallic; Cu2Dy1In3, ICSD #108369 A2BC3_hP6_191_c_a_g-002.{ABC} hP6 P6/mmm - Al2Ce1Pt3 #191 metallic; Al2Ce1Pt3, ICSD #658142 A9BC2_hP12_191_fm_a_c-001.{ABC} hP12 P6/mmm - Al9Ba1Fe2 #191 metallic; Al9Ba1Fe2, ICSD #57518 A6BC6_hP13_191_i_a_cde-001.{ABC} hP13 P6/mmm - Mn6Sc1Sn6 #191 metallic; Mn6Sc1Sn6, ICSD #54273 A6B6C_hP13_191_i_cde_a-001.{ABC} hP13 P6/mmm - Mn6Sn6Tb1 #191 metallic; Mn6Sn6Tb1, ICSD #54277 A3B3C2_hP16_193_g_g_d-001.{ABC} hP16 P6_{3}/mcm - Ga3Hf3Nb2 #193 metallic; Ga3Hf3Nb2, ICSD #103733 ABC_hP6_194_d_a_c-001.ABC/BCA/CAB hP6 P6_{3}/mmc - Pb1Sr1Zn1 #194 metallic; Pb1Sr1Zn1, ICSD #54319 ABC_hP6_194_c_a_d-001.ABC/BCA/CAB hP6 P6_{3}/mmc - Bi1Ca1Cu1 #194 metallic; Bi1Ca1Cu1, ICSD #57018 ABC_hP6_194_c_a_d-002.ABC/BCA/CAB hP6 P6_{3}/mmc - Cu1Gd1Sn1 #194 metallic; Cu1Gd1Sn1, ICSD #600994 ABC_hP6_194_c_d_a-002.ABC/BCA/CAB hP6 P6_{3}/mmc - Al1Au1Ti1 #194 metallic; Al1Au1Ti1, ICSD #57506 ABC_hP6_194_a_c_d-001.ABC/BCA/CAB hP6 P6_{3}/mmc - Ba1Pb1Zn1 #194 metallic; Ba1Pb1Zn1, ICSD #106315 ABC_hP6_194_a_d_c-001.ABC/BCA/CAB hP6 P6_{3}/mmc - Ca1Hg1Pb1 #194 metallic; Ca1Hg1Pb1, ICSD #106345 AB2C_hP8_194_b_f_c-001.{ABC} hP8 P6_{3}/mmc - Al1Pt2Zr1 #194 metallic; Al1Pt2Zr1, ICSD #58139 AB2C_hP8_194_a_f_c-001.{ABC} hP8 P6_{3}/mmc - In1Pt2Y1 #194 metallic; In1Pt2Y1, ICSD #59505 A2BC_hP8_194_f_a_c-001.{ABC} hP8 P6_{3}/mmc - Cu2Li1Sn1 #194 metallic; Cu2Li1Sn1, ICSD #150602 A3BC2_hP12_194_h_a_f-001.{ABC} hP12 P6_{3}/mmc - Al3Ru1Sc2 #194 metallic; Al3Ru1Sc2, ICSD #58159 ABC_hP12_194_f_f_ab-001.{ABC} hP12 P6_{3}/mmc - Ga1Sn1Sr1 #194 metallic; Ga1Sn1Sr1, ICSD #66003 ABC_hP12_194_ab_f_f-001.{ABC} hP12 P6_{3}/mmc - Gd1Sn1Zn1 #194 metallic; Gd1Sn1Zn1, ICSD #152621 ABC_hP12_194_ab_f_f-002.{ABC} hP12 P6_{3}/mmc - La1Sn1Zn1 #194 metallic; La1Sn1Zn1, ICSD #152623 A3B3C2_hP16_194_h_af_f-001.{ABC} hP16 P6_{3}/mmc - Al2Ba2Ga1.33 #194 metallic; Al2Ba2Ga1.33, ICSD #415931 AB2C_cP16_215_e_bce_ad-001.{ABC} cP16 P-43m - Ir1Li2Mg1 #215 metallic; Ir1Li2Mg1, ICSD #180119 ABC2_cF16_216_a_d_bc.ABC/CAB/BCA cF16 F-43m - Ag1Al1Li2 #216 metallic; Ag1Al1Li2, ICSD #57330, equivalent to inverse Heusler CuHg2Ti (http://aflow.org/prototype-encyclopedia/AB2C_cF16_216_b_ad_c.html, part 3) AB4C_cF24_216_a_e_c-001.ABC/BCA/CAB cF24 F-43m - In1Ni4Zr1 #216 metallic; In1Ni4Zr1, ICSD #59462 A3B4C4_cI22_217_b_c_c-001.{ABC} cI22 I-43m - Ca3Ga4Ni4 #217 metallic; Ca3Ga4Ni4, ICSD #58899 A3BC_cP15_221_ag_c_d-001.{ABC} cP15 Pm-3m - Ga3Os1Tb1 #221 metallic; Ga3Os1Tb1, ICSD #412144 ***************************************************************************************************************************************************** ANRL - metal borides - BINARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A4B_mC10_12_j_a-001.{AB} mC10 C2/m - B4Mn1 #12 metal-boride; B4Mn1, ICSD #15079 equivalent to 1034.AB,1034.BA [HTQC] A2B_mC12_12_2i_i-002.{AB} mC12 C2/m - B2Mo1 #12 metal-boride; B2Mo1, ICSD #418398 equivalent to 1041.AB,1041.BA [HTQC] A5B2_mC14_12_a2i_i-002.{AB} mC14 C2/m - B5W2 #12 metal-boride; B5W2, ICSD #20326 equivalent to 1019.AB,1019.BA,1046.AB,1046.BA [HTQC] A3B4_mC28_15_ef_2f-001.{AB} mC28 C2/c - B3Ni4 #15 metal-boride; B3Ni4, ICSD #24308 equivalent to 1071.AB,1071.BA [HTQC] A3B4_mC28_15_ef_2f-002.{AB} mC28 C2/c - B3Ni4 #15 metal-boride; B3Ni4, ICSD #150561 equivalent to 1070.AB,1070.BA [HTQC] A4B_oP10_58_2g_a-001.{AB} oP10 Pnnm - B4Cr1 #58 metal-boride; B4Cr1, ICSD #186851 equivalent to 1055.AB,1055.BA,1056.AB,1056.BA [HTQC] A2B_oP6_59_e_a-001.{AB} oP6 Pmmn - B2Ru1 #59 metal-boride; B2Ru1, ICSD #31871 equivalent to 1018.AB,1018.BA [HTQC], equivalent to B2Ru1 (http://aflow.org/prototype-encyclopedia/A2B_oP6_59_f_a.html, part 3) AB_oP8_62_c_c-007.{AB} oP8 Pnma - B1Ti1 #62 metal-boride; B1Ti1, ICSD #24701 equivalent to 256,1020.AB,1020.BA,1050.AB,1050.BA [HTQC] AB_oP8_62_c_c-008.{AB} oP8 Pnma - B1Li1 #62 metal-boride; B1Li1, ICSD #153291 equivalent to 1049.AB,1049.BA [HTQC] AB_oP8_62_c_c-009.{AB} oP8 Pnma - B1Co1 #62 metal-boride; B1Co1, ICSD #612863 equivalent to 256,1020.AB,1020.BA,1047.AB,1047.BA,1050.AB,1050.BA [HTQC] A2B_oP12_62_d_c-001.{AB} oP12 Pnma - B2Fe1 #62 metal-boride; B2Fe1, ICSD #425310 equivalent to 1066.AB,1066.BA [HTQC] AB_oC8_63_a_c-001.{AB} oC8 Cmcm - B1Rh1 #63 metal-boride; B1Rh1, ICSD #150732 equivalent to 1029.AB,1029.BA [HTQC] AB3_oC16_63_c_cf-001.{AB} oC16 Cmcm - B1Re3 #63 metal-boride; B1Re3, ICSD #43662 equivalent to 1022.AB,1022.BA [HTQC], equivalent to BRe3 (http://aflow.org/prototype-encyclopedia/AB3_oC16_63_c_cf.html, part 3) A3B2_oC20_63_3c_2c-001.{AB} oC20 Cmcm - B3V2 #63 metal-boride; B3V2, ICSD #79258 equivalent to 1012.AB,1012.BA [HTQC] A6B5_oC22_65_i2j_aij-001.{AB} oC22 Cmmm - B6Ta5 #65 metal-boride; B6Ta5, ICSD #68538 equivalent to 1058.AB,1058.BA [HTQC] A4B_oI10_71_n_a-001.{AB} oI10 Immm - B4Cr1 #71 metal-boride; B4Cr1, ICSD #24353 equivalent to 1033.AB,1033.BA [HTQC] A4B3_oI14_71_ef_af-001.{AB} oI14 Immm - B4Nb3 #71 metal-boride; B4Nb3, ICSD #76631 equivalent to 1045.AB,1045.BA [HTQC] A4B3_oI14_71_ef_af-002.{AB} oI14 Immm - B4Mn3 #71 metal-boride; B4Mn3, ICSD #614732 A11B_tI24_119_aegi_d-001.{AB} tI24 I-4m2 - B11Li1 #119 metal-boride; B11Li1, ICSD #164844 equivalent to 1062.AB,1062.BA [HTQC] A11B_tI24_119_aegi_d-002.{AB} tI24 I-4m2 - B11Li1 #119 metal-boride; B11Li1, ICSD #164845 equivalent to 1063.AB,1063.BA [HTQC] AB2_tI12_121_ab_i-001.{AB} tI12 I-42m C17 B1Fe2 #121 metal-boride; B1Fe2, ICSD #16809 equivalent to 1037.AB,1037.BA [HTQC], equivalent to Fe2B (C17, obsolete, http://aflow.org/prototype-encyclopedia/AB2_tI12_121_ab_i.html) A12B_tI26_139_jm_a-001.{AB} tI26 I4/mmm - B12Sc1 #139 metal-boride; B12Sc1, ICSD #615424 equivalent to 1068.AB,1068.BA [HTQC] AB2_tI12_140_b_h-001.{AB} tI12 I4/mcm - B1Fe2 #140 metal-boride; B1Fe2, ICSD #160789 equivalent to 1036.AB,1036.BA [HTQC] AB2_tI12_140_b_h-002.{AB} tI12 I4/mcm - B1Fe2 #140 metal-boride; B1Fe2, ICSD #160790 AB2_tI12_140_c_h-001.{AB} tI12 I4/mcm - B1Ti2 #140 metal-boride; B1Ti2, ICSD #189385 equivalent to 1040.AB,1040.BA [HTQC] A4B5_hR9_160_ab_2ab-001.{AB} hR9 R3m - B4Li5 #160 metal-boride; B4Li5, ICSD #23041 A11B_hR12_160_2a3b_a-001.{AB} hR12 R3m - B11Li1 #160 metal-boride; B11Li1, ICSD #164842 equivalent to 1060.AB,1060.BA [HTQC] AB_hR4_166_c_c-003.{AB} hR4 R-3m - B2Li2 #166 metal-boride; B2Li2, ICSD #1 equivalent to 537,538,1032.AB,1032.BA [HTQC] A2B_hR6_166_2c_c-001.{AB} hR6 R-3m - B4Mo2 #166 metal-boride; B4Mo2, ICSD #39554 equivalent to 1043.AB,1043.BA,1078.AB,1078.BA [HTQC] A5B2_hR7_166_a2c_c-002.{AB} hR7 R-3m - B5W2 #166 metal-boride; B5W2, ICSD #20326 A3B_hR8_166_f_c-001.{AB} hR8 R-3m - B3Mo1 #166 metal-boride; B3Mo1, ICSD #167734 equivalent to 1052.AB,1052.BA [HTQC] AB3_hP8_182_c_g-002.{AB} hP8 P6_{3}22 - B1Fe3 #182 metal-boride; B1Fe3, ICSD #184958 equivalent to 1048.AB,1048.BA,1262.AB,1262.BA,1263.AB,1263.BA [HTQC] A2B_hP3_191_d_a-001.{AB} hP3 P6/mmm - B2Zr1 #191 metal-boride; B2Zr1, ICSD #169458 equivalent to 1011.AB,1011.BA [HTQC] A2B_hP3_191_d_a-002.{AB} hP3 P6/mmm - B2Ca1 #191 metal-boride; B2Ca1, ICSD #186764 A2B_hP3_191_d_a-003.{AB} hP3 P6/mmm - B2Nb1 #191 metal-boride; B2Nb1, ICSD #614887 equivalent to 519,520,1028.AB,1028.BA [HTQC] AB_hP4_194_a_c-002.{AB} hP4 P6_{3}/mmc - B1Pt1 #194 metal-boride; B1Pt1, ICSD #24363 equivalent to 1016.AB,1016.BA [HTQC] A2B_hP6_194_f_c-001.{AB} hP6 P6_{3}/mmc - B2Re1 #194 metal-boride; B2Re1, ICSD #23871 equivalent to 694.AB,694.BA,1017.AB,1017.BA [HTQC] AB_hP8_194_bc_f-001.{AB} hP8 P6_{3}/mmc - B2Li2 #194 metal-boride; B2Li2, ICSD #2 equivalent to 1051.AB,1051.BA [HTQC] A3B_hP8_194_af_c-001.{AB} hP8 P6_{3}/mmc - B3Re1 #194 metal-boride; B3Re1, ICSD #24361 equivalent to 1053.AB,1053.BA [HTQC], equivalent to B3Re (http://aflow.org/prototype-encyclopedia/A3B_hP8_194_af_c.html, part 3) A3B2_hP10_194_cf_f-002.{AB} hP10 P6_{3}/mmc - B3Ru2 #194 metal-boride; B3Ru2, ICSD #23715 equivalent to 1023.AB,1023.BA [HTQC] A4B_hP10_194_2f_c-001.{AB} hP10 P6_{3}/mmc - B4Mo1 #194 metal-boride; B4Mo1, ICSD #167735 equivalent to 1057.AB,1057.BA [HTQC] A3B2_hP10_194_bf_f-001.{AB} hP10 P6_{3}/mmc - B3Ru2 #194 metal-boride; B3Ru2, ICSD #108082 A2B_hP12_194_bcf_f-001.{AB} hP12 P6_{3}/mmc - B2W1 #194 metal-boride; B2W1, ICSD #23716 equivalent to 1067.AB,1067.BA [HTQC] A5B2_hP14_194_fg_e-001.{AB} hP14 P6_{3}/mmc - B5Mo2 #194 metal-boride; B5Mo2, ICSD #167733 equivalent to 1072.AB,1072.BA [HTQC] A11B_cF48_216_aeg_b-001.{AB} cF48 F-43m - B11Li1 #216 metal-boride; B11Li1, ICSD #164841 equivalent to 1059.AB,1059.BA [HTQC] A11B_cF48_216_aef_d-001.{AB} cF48 F-43m - B11Li1 #216 metal-boride; B11Li1, ICSD #164843 equivalent to 1061.AB,1061.BA [HTQC] ***************************************************************************************************************************************************** ANRL - metal borides - TERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A4B2C_aP7_2_2i_i_a-001.{ABC} aP7 P-1 - B4Co2Mo1 #2 metal-boride; B4Co2Mo1, ICSD #44175 A5B2C3_mC20_5_b2c_c_ac-001.{ABC} mC20 C2 - B5Ca2Os3 #5 metal-boride; B5Ca2Os3, ICSD #59227 A3BC_mP10_11_3e_e_e-001.{ABC} mP10 P2_{1}/m - B3Er1Mo1 #11 metal-boride; B3Er1Mo1, ICSD #65932 A2BC3_mC12_12_g_a_df-001.{ABC} mC12 C2/m - B2Er1Ir3 #12 metal-boride; B2Er1Ir3, ICSD #44230 A4B2C5_mC22_12_2i_i_aj-001.{ABC} mC22 C2/m - B4La2Ni5 #12 metal-boride; B4La2Ni5, ICSD #63501 A4B2C5_mC22_12_2i_i_aj-002.{ABC} mC22 C2/m - B4La2Ni5 #12 metal-boride; B4La2Ni5, ICSD #170618 A2B2C_mC20_15_f_f_e-001.{ABC} mC20 C2/c - B2Ni2Tb1 #15 metal-boride; B2Ni2Tb1, ICSD #57003 ABC_oF48_43_b_b_b-001.{ABC} oF48 Fdd2 - B1Cu1Ir1 #43 metal-boride; B1Cu1Ir1, ICSD #75029 AB4C_oP6_47_d_rt_a-001.ABC/BCA/CAB oP6 Pmmm - Al1B4Yb1 #47 metal-boride; Al1B4Yb1, ICSD #181368 AB4C3_oP8_47_a_qr_dt-001.{ABC} oP8 Pmmm - Al1B4Cr3 #47 metal-boride; Al1B4Cr3, ICSD #20082 A3B4C_oP16_47_qrs_qrst_ad-001.{ABC} oP16 Pmmm - B3Ir4Zn1 #47 metal-boride; B3Ir4Zn1, ICSD #71640 A2B2C3_oP14_55_h_h_ag-001.{ABC} oP14 Pbam - B2Li2Rh3 #55 metal-boride; B2Li2Rh3, ICSD #417442 AB2C_oP16_62_c_d_c-003.{ABC} oP16 Pnma - B1Co2Fe1 #62 metal-boride; B1Co2Fe1, ICSD #603579 A2BC_oP16_62_2c_c_c-001.{ABC} oP16 Pnma - B2Co1Nb1 #62 metal-boride; B2Co1Nb1, ICSD #41893 A2BC_oP16_62_d_c_c-001.{ABC} oP16 Pnma - B2Ce1Ru1 #62 metal-boride; B2Ce1Ru1, ICSD #612853 ABC_oC12_63_c_c_c-002.{ABC} oC12 Cmcm - Al1B1Mo1 #63 metal-boride; Al1B1Mo1, ICSD #16777 ABC_oC12_63_c_c_c-003.{ABC} oC12 Cmcm - B1Nb1Ni1 #63 metal-boride; B1Nb1Ni1, ICSD #43005 A3BC_oC20_63_3c_c_c-001.{ABC} oC20 Cmcm - B3Co1V1 #63 metal-boride; B3Co1V1, ICSD #44188 A3BC3_oC28_63_cf_a_cf-002.{ABC} oC28 Cmcm - B3Co1W3 #63 metal-boride; B3Co1W3, ICSD #25753 A4BC3_oC32_63_2cf_a_cf-001.{ABC} oC32 Cmcm - B4Mg1Os3 #63 metal-boride; B4Mg1Os3, ICSD #91243 AB2C2_oC10_65_a_i_j-001.{ABC} oC10 Cmmm - Al1B2Cr2 #65 metal-boride; Al1B2Cr2, ICSD #20083 A2BC3_oC12_65_i_a_cf-001.{ABC} oC12 Cmmm - B2Ce1Rh3 #65 metal-boride; B2Ce1Rh3, ICSD #40777 A2B2C3_oC14_65_j_j_ai-001.{ABC} oC14 Cmmm - Al2B2Ru3 #65 metal-boride; Al2B2Ru3, ICSD #43843 A6B2C3_oC22_65_gp_j_ah-001.{ABC} oC22 Cmmm - B6Er2Ni3 #65 metal-boride; B6Er2Ni3, ICSD #65737 ABC4_oC24_65_i_bc_jkm-001.{ABC} oC24 Cmmm - B1Nd1Ni4 #65 metal-boride; B1Nd1Ni4, ICSD #20882 AB4C_oC24_65_h_gip_j-001.{ABC} oC24 Cmmm - Al1B4Yb1 #65 metal-boride; Al1B4Yb1, ICSD #167533 A4B2C5_oF44_69_o_g_acf-001.{ABC} oF44 Fmmm - B4Ca2Rh5 #69 metal-boride; B4Ca2Rh5, ICSD #66768 A2B2C_oF40_70_g_e_a-001.{ABC} oF40 Fddd - B2Rh2Sr1 #70 metal-boride; B2Rh2Sr1, ICSD #8153 A2BC2_oF40_70_f_a_e-001.{ABC} oF40 Fddd - B2Nd1Os2 #70 metal-boride; B2Nd1Os2, ICSD #601369 ABC_oF48_70_e_f_c-001.{ABC} oF48 Fddd - B1Ir1Li1 #70 metal-boride; B1Ir1Li1, ICSD #75027 A2BC2_oI10_71_h_a_f-001.{ABC} oI10 Immm - B2Co1W2 #71 metal-boride; B2Co1W2, ICSD #16776 A4B2C_oI14_71_ef_f_a-001.{ABC} oI14 Immm - B4Fe2Mo1 #71 metal-boride; B4Fe2Mo1, ICSD #44293 A4B2C_oI14_71_ef_f_a-002.{ABC} oI14 Immm - B4Mn2W1 #71 metal-boride; B4Mn2W1, ICSD #614782 A6BC2_oI18_71_hn_a_f-001.{ABC} oI18 Immm - B6Ce1Cr2 #71 metal-boride; B6Ce1Cr2, ICSD #16203 A6BC2_oI18_71_hn_a_f-002.{ABC} oI18 Immm - B6Ce1Cr2 #71 metal-boride; B6Ce1Cr2, ICSD #81544 ABC3_tP5_99_a_b_ac-001.{ABC} tP5 P4mm - B1Ce1Pt3 #99 metal-boride; B1Ce1Pt3, ICSD #95049 A2BC2_tI10_139_e_a_d-001.{ABC} tI10 I4/mmm - B2Ba1Rh2 #139 metal-boride; B2Ba1Rh2, ICSD #8155 A2B2C_tI10_139_d_e_a-001.{ABC} tI10 I4/mmm - B2Ir2Zn1 #139 metal-boride; B2Ir2Zn1, ICSD #71642 A2B2C_tI10_139_e_d_a-001.{ABC} tI10 I4/mmm - B2Co2Dy1 #139 metal-boride; B2Co2Dy1, ICSD #612907, equivalent to Cr2Si2Th (http://aflow.org/prototype-encyclopedia/A2B2C_tI10_139_d_e_a.html, part 3) A2B3C7_hR12_166_c_bc_ah-001.{ABC} hR12 R-3m - B2Ca3Ni7 #166 metal-boride; B2Ca3Ni7, ICSD #36505 A6B3C4_hR13_166_g_ac_2c-001.{ABC} hR13 R-3m - B6Fe3Pr4 #166 metal-boride; B6Fe3Pr4, ICSD #614152 A4BC3_hP16_176_bh_c_h-001.{ABC} hP16 P6_{3}/m - B4Hf1Ir3 #176 metal-boride; B4Hf1Ir3, ICSD #1518 ABC2_hP12_180_d_c_i-001.{ABC} hP12 P6_{2}22 - B1Ce1Pt2 #180 metal-boride; B1Ce1Pt2, ICSD #90403 ABC_hP9_189_ac_f_g-001.{ABC} hP9 P-62m - B1Fe1Nb1 #189 metal-boride; B1Fe1Nb1, ICSD #20298 A2B6C5_hP13_189_ab_i_df-001.{ABC} hP13 P-62m - B2Rh6Sn5 #189 metal-boride; B2Rh6Sn5, ICSD #77352 ABC3_hP15_189_bc_f_fk-001.{ABC} hP15 P-62m - B1Li1Pt3 #189 metal-boride; B1Li1Pt3, ICSD #68091 ABC3_hP10_191_c_ab_i-001.{ABC} hP10 P6/mmm - B1Na1Pt3 #191 metal-boride; B1Na1Pt3, ICSD #68092 AB4C_hP12_191_d_ci_ab-001.{ABC} hP12 P6/mmm - B1Ni4Y1 #191 metal-boride; B1Ni4Y1, ICSD #16515 ABC4_hP12_191_c_ab_di-001.{ABC} hP12 P6/mmm - B1Ca1Ni4 #191 metal-boride; B1Ca1Ni4, ICSD #36504 A2B7C_cF40_225_c_bd_a.{ABC} cF40 Fm-3m - B2Pd7Y1 #225 metal-boride; B2Pd7Y1, ICSD #260147 ***************************************************************************************************************************************************** ANRL - metal oxides - BINARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB_aP16_2_4i_4i-002.{AB} aP16 P-1 - Hg1O1 #2 metal-oxide; Hg1O1, ICSD #32561 AB2_mP12_4_2a_4a-001.{AB} mP12 P2_{1} - Mo1O2 #4 metal-oxide; Mo1O2, ICSD #36263 A4B_mC10_5_2c_a-001.{AB} mC10 C2 - O4Os1 #5 metal-oxide; O4Os1, ICSD #24672 A2B5_mC14_5_c_a2c-001.{AB} mC14 C2 - Nb2O5 #5 metal-oxide; Nb2O5, ICSD #51176 AB2_mC6_8_a_2a-001.{AB} mC6 Cm - Co1O2 #8 metal-oxide; Co1O2, ICSD #95440 AB_mC8_9_a_a-001.{AB} mC8 Cc - Cu1O1 #9 metal-oxide; Cu1O1, ICSD #69757 A2B_mP6_10_mn_ce-001.{AB} mP6 P2/m - O2V1 #10 metal-oxide; O2V1, ICSD #89471 A2B_mP12_10_2mo_im-001.{AB} mP12 P2/m - O2V1 #10 metal-oxide; O2V1, ICSD #1503 AB3_mP8_11_e_3e-001.{AB} mP8 P2_{1}/m - Mo1O3 #11 metal-oxide; Mo1O3, ICSD #80577 A3B2_mP10_11_3e_2e-001.{AB} mP10 P2_{1}/m - O3Pb2 #11 metal-oxide; O3Pb2, ICSD #36243 A2B_mP12_11_4e_2e-001.{AB} mP12 P2_{1}/m - O2Ti1 #11 metal-oxide; O2Ti1, ICSD #657748 A3B4_mP14_11_3e_4e-001.{AB} mP14 P2_{1}/m - O3Tl4 #11 metal-oxide; O3Tl4, ICSD #23478 A5B2_mP14_11_5e_2e-001.{AB} mP14 P2_{1}/m - O5V2 #11 metal-oxide; O5V2, ICSD #59960 AB2_mC6_12_a_i-002.{AB} mC6 C2/m - Hg1O2 #12 metal-oxide; Hg1O2, ICSD #48214 AB2_mC6_12_a_i-003.{AB} mC6 C2/m - Ni1O2 #12 metal-oxide; Ni1O2, ICSD #88720 AB2_mC12_12_i_2i-001.{AB} mC12 C2/m - Nd2O4 #12 metal-oxide; Nd2O4, ICSD #62228 AB2_mC12_12_i_2i-002.{AB} mC12 C2/m - O1Tl2 #12 metal-oxide; O1Tl2, ICSD #77699 AB2_mC18_12_ai_3i-001.{AB} mC18 C2/m - Mn1O2 #12 metal-oxide; Mn1O2, ICSD #150462 A3B7_mC20_12_di_a3i-001.{AB} mC20 C2/m - O3V7 #12 metal-oxide; O3V7, ICSD #77706 A2B3_mC20_12_2i_3i-002.{AB} mC20 C2/m - Nb2O3 #12 metal-oxide; Nb2O3, ICSD #263119 A3B7_mC20_12_ai_d3i-001.{AB} mC20 C2/m - O6V14 #12 metal-oxide; O6V14, ICSD #163494 A3B8_mC22_12_ai_2ij-001.{AB} mC22 C2/m - Cr3O8 #12 metal-oxide; Cr3O8, ICSD #155847 A2B_mC24_12_4i_2i-001.{AB} mC24 C2/m - O2V1 #12 metal-oxide; O2V1, ICSD #199 A2B_mC24_12_4i_2i-002.{AB} mC24 C2/m - O2Ti1 #12 metal-oxide; O2Ti1, ICSD #57154 A2B_mC24_12_4i_2i-003.{AB} mC24 C2/m - O2V1 #12 metal-oxide; O2V1, ICSD #73855 A2B_mC24_12_2ij_gi-001.{AB} mC24 C2/m - O2V1 #12 metal-oxide; O2V1, ICSD #34416 A5B8_mC26_12_ahi_2ij-001.{AB} mC26 C2/m - Mn5O8 #12 metal-oxide; Mn5O8, ICSD #16956 A5B3_mC32_12_5i_3i-002.{AB} mC32 C2/m - O5Ti3 #12 metal-oxide; O5Ti3, ICSD #26492 A4B3_mP14_13_2g_ag-001.{AB} mP14 P2/c - O4Sn3 #13 metal-oxide; O4Sn3, ICSD #174299 AB_mP8_14_ad_e-001.{AB} mP8 P2_{1}/c - Ag1O1 #14 metal-oxide; Ag1O1, ICSD #43741 A2B_mP12_14_2e_e-005.{AB} mP12 P2_{1}/c - O2Zr1 #14 metal-oxide; O2Zr1, ICSD #15983 A2B_mP12_14_2e_e-006.{AB} mP12 P2_{1}/c - O2Ti1 #14 metal-oxide; O2Ti1, ICSD #154035 A2B_mP12_14_2e_e-007.{AB} mP12 P2_{1}/c - O2Ti1 #14 metal-oxide; O2Ti1, ICSD #154036 A2B_mP12_14_2e_e-008.{AB} mP12 P2_{1}/c - O2Tc1 #14 metal-oxide; O2Tc1, ICSD #173153 A2B_mP12_14_2e_e-009.{AB} mP12 P2_{1}/c - O2Zr1 #14 metal-oxide; O2Zr1, ICSD #659226 A3B4_mP14_14_ae_2e-001.{AB} mP14 P2_{1}/c - Ag3O4 #14 metal-oxide; Ag3O4, ICSD #59225 A3B_mP16_14_3e_e-002.{AB} mP16 P2_{1}/c - O3Rb1 #14 metal-oxide; O3Rb1, ICSD #6094 A3B_mP16_14_3e_e-003.{AB} mP16 P2_{1}/c - O3Rb1 #14 metal-oxide; O3Rb1, ICSD #47164 A3B_mP16_14_3e_e-004.{AB} mP16 P2_{1}/c - O3Rb1 #14 metal-oxide; O3Rb1, ICSD #180568 A3B_mP16_14_3e_e-005.{AB} mP16 P2_{1}/c - O3W1 #14 metal-oxide; O3W1, ICSD #647640 AB_mC8_15_c_e-002.{AB} mC8 C2/c - Ag1O1 #15 metal-oxide; Ag1O1, ICSD #27659 AB_mC8_15_a_e-002.{AB} mC8 C2/c - Cu1O1 #15 metal-oxide; Cu1O1, ICSD #67850 AB2_mC12_15_c_f-001.{AB} mC12 C2/c - K1O2 #15 metal-oxide; K1O2, ICSD #38230 AB2_mC24_15_ae_2f-001.{AB} mC24 C2/c - Bi2O4 #15 metal-oxide; Bi2O4, ICSD #79500 A5B3_mC32_15_e2f_cf-001.{AB} mC32 C2/c - O5V3 #15 metal-oxide; O5V3, ICSD #15899 A5B3_mC32_15_e2f_af-001.{AB} mC32 C2/c - O5V3 #15 metal-oxide; O5V3, ICSD #32587 A8B3_oC22_21_achl_bg-001.{AB} oC22 C222 - O8W3 #21 metal-oxide; O8W3, ICSD #73719 AB_oP8_29_a_a-001.{AB} oP8 Pca2_{1} - O1Pb1 #29 metal-oxide; O1Pb1, ICSD #36250 A2B_oP12_29_2a_a-002.{AB} oP12 Pca2_{1} - O2Zr1 #29 metal-oxide; O2Zr1, ICSD #67004 AB_oP4_31_a_a-001.{AB} oP4 Pmn2_{1} - O1Sn1 #31 metal-oxide; O1Sn1, ICSD #20624 A5B2_oP14_31_a2b_b-001.{AB} oP14 Pmn2_{1} D8_{7} O5V2 #31 metal-oxide; O5V2, ICSD #15984, equivalent to O5V2 (shcherbnaite (obsolete), http://aflow.org/prototype-encyclopedia/A5B2_oP14_31_a2b_b.html, part 3) A5B2_oP14_31_a2b_b-002.{AB} oP14 Pmn2_{1} - O5V2 #31 metal-oxide; O5V2, ICSD #29140 A5B2_oP14_31_a2b_b-003.{AB} oP14 Pmn2_{1} - O5V2 #31 metal-oxide; O5V2, ICSD #41030 A2B_oC24_35_abef_de-001.{AB} oC24 Cmm2 - O2Ti1 #35 metal-oxide; O2Ti1, ICSD #97008 AB_oC16_36_2a_2a-002.{AB} oC16 Cmc2_{1} - O1Sn1 #36 metal-oxide; O1Sn1, ICSD #424729 AB_oC16_36_b_2a-001.{AB} oC16 Cmc2_{1} - O1Sn1 #36 metal-oxide; O1Sn1, ICSD #60619 A8B_oC18_38_2cde_a-001.{AB} oC18 Amm2 - Cu8O1 #38 metal-oxide; Cu8O1, ICSD #62764 AB3_oC32_40_c_3c-001.{AB} oC32 Ama2 - Cr1O3 #40 metal-oxide; Cr1O3, ICSD #16031 A2B3_oF40_43_b_ab-001.{AB} oF40 Fdd2 - Au2O3 #43 metal-oxide; Au2O3, ICSD #8014, equivalent to Ag2O3 (http://aflow.org/prototype-encyclopedia/A2B3_oF40_43_b_ab.html, part 3) AB3_oI8_44_a_ac-001.{AB} oI8 Imm2 - Li1O3 #44 metal-oxide; Li1O3, ICSD #180565 AB_oP2_47_a_e-001.AB oP2 Pmmm - Nb1O1 #47 metal-oxide; Nb1O1, ICSD #95729 AB2_oP3_47_a_m-001.{AB} oP3 Pmmm - Cu1O2 #47 metal-oxide; Cu1O2, ICSD #54126 AB4_oP5_47_e_bdr-001.{AB} oP5 Pmmm - O1Ta4 #47 metal-oxide; O1Ta4, ICSD #76022 A5B2_oP7_47_behq_ad-001.{AB} oP7 Pmmm - O5Ta2 #47 metal-oxide; O5Ta2, ICSD #95462 A4B3_oP14_55_gh_bg-001.{AB} oP14 Pbam - O4Pb3 #55 metal-oxide; O4Pb3, ICSD #97282 AB2_oP12_59_e_2e-001.{AB} oP12 Pmmn - Mn1O2 #59 metal-oxide; Mn1O2, ICSD #54114 AB2_oP12_59_e_2e-002.{AB} oP12 Pmmn - Hf1O2 #59 metal-oxide; Hf1O2, ICSD #83863 A5B2_oP14_59_a2e_e-002.{AB} oP14 Pmmn - O5V2 #59 metal-oxide; O5V2, ICSD #43132 A2B_oP12_60_d_c-002.{AB} oP12 Pbcn - O2Ti1 #60 metal-oxide; O2Ti1, ICSD #15328 A2B_oP12_60_d_c-003.{AB} oP12 Pbcn - O2Pb1 #60 metal-oxide; O2Pb1, ICSD #20362, equivalent to alpha-PbO2 (http://aflow.org/prototype-encyclopedia/A2B_oP12_60_d_c.html, part 3) A2B_oP12_60_d_c-004.{AB} oP12 Pbcn - O2Re1 #60 metal-oxide; O2Re1, ICSD #24060 AB2_oP12_61_a_c-001.{AB} oP12 Pbca - Hg1O2 #61 metal-oxide; Hg1O2, ICSD #24774 A2B_oP12_62_2c_c-006.{AB} oP12 Pnma - O2Zr1 #62 metal-oxide; O2Zr1, ICSD #56696 equivalent to 652.AB,652.BA [HTQC] AB2_oP12_62_c_2c-001.{AB} oP12 Pnma - Mn1O2 #62 metal-oxide; Mn1O2, ICSD #171866 A2B_oP12_62_2c_c-007.{AB} oP12 Pnma - O2Sn1 #62 metal-oxide; O2Sn1, ICSD #181282 A2B_oP12_62_2c_c-008.{AB} oP12 Pnma - O2Ti1 #62 metal-oxide; O2Ti1, ICSD #182577 A2B_oP12_62_2c_c-009.{AB} oP12 Pnma - O2Pr1 #62 metal-oxide; O2Pr1, ICSD #380398 AB3_oP16_62_c_3c-002.{AB} oP16 Pnma - Mo1O3 #62 metal-oxide; Mo1O3, ICSD #644065 equivalent to 698.AB,698.BA [HTQC] A2B3_oC20_63_ac_cf-001.{AB} oC20 Cmcm - Al2O3 #63 metal-oxide; Al2O3, ICSD #161062 A2B3_oC20_63_ac_cf-002.{AB} oC20 Cmcm - Ga2O3 #63 metal-oxide; Ga2O3, ICSD #162252 equivalent to 1274.AB,1274.BA [HTQC] A3B4_oC28_63_cf_acf-001.{AB} oC28 Cmcm - Fe3O4 #63 metal-oxide; Fe3O4, ICSD #263010 AB2_oC6_65_a_j-001.{AB} oC6 Cmmm - Ba1O2 #65 metal-oxide; Ba1O2, ICSD #180398 AB2_oF12_69_a_h-001.{AB} oF12 Fmmm - Cu1O2 #69 metal-oxide; Cu1O2, ICSD #85080 AB2_oF12_69_a_g-001.{AB} oF12 Fmmm - Cu1O2 #69 metal-oxide; Cu1O2, ICSD #150886 AB_oI8_71_g_e-001.{AB} oI8 Immm - O2Rb2 #71 metal-oxide; O2Rb2, ICSD #25528, equivalent to CsO (http://aflow.org/prototype-encyclopedia/AB_oI8_71_g_i.html, part 3) AB_oI32_72_2j_2j-001.AB oI32 Ibam - Mg1O1 #72 metal-oxide; Mg1O1, ICSD #181462 A3B4_oI28_74_ace_hi-001.{AB} oI28 Imma - Fe3O4 #74 metal-oxide; Fe3O4, ICSD #31156 AB2_tI24_87_h_2h-001.{AB} tI24 I4/m - Mn1O2 #87 metal-oxide; Mn1O2, ICSD #20227 AB_tI32_88_cd_f-001.{AB} tI32 I4_{1}/a - Ag1O1 #88 metal-oxide; Ag1O1, ICSD #202055 A3B_tP16_113_ef_e-001.{AB} tP16 P-42_{1}m - O3W1 #113 metal-oxide; O3W1, ICSD #86144 A2B3_tP5_115_g_abc-001.{AB} tP5 P-4m2 - Bi2O3 #115 metal-oxide; Bi2O3, ICSD #168808 A2B_tP3_123_g_a-002.{AB} tP3 P4/mmm - O2Zr1 #123 metal-oxide; O2Zr1, ICSD #92091 A3B_tP8_127_bg_a-001.{AB} tP8 P4/mbm - O3Re1 #127 metal-oxide; O3Re1, ICSD #77680 AB_tP4_129_c_a-001.{AB} tP4 P4/nmm - Ba1O1 #129 metal-oxide; Ba1O1, ICSD #15301 AB2_tP6_129_c_ac-001.{AB} tP6 P4/nmm - Gd1O2 #129 metal-oxide; Gd1O2, ICSD #6318 AB2_tP6_129_c_ac-002.{AB} tP6 P4/nmm - Eu1O2 #129 metal-oxide; Eu1O2, ICSD #631464 A3B_tP8_129_cd_c-001.{AB} tP8 P4/nmm - O3W1 #129 metal-oxide; O3W1, ICSD #27961 A3B_tP16_130_cf_c-001.{AB} tP16 P4/ncc - O3W1 #130 metal-oxide; O3W1, ICSD #50732, equivalent to alpha-WO3 (http://aflow.org/prototype-encyclopedia/A3B_tP16_130_cf_c.html, part 3) A2B3_tP10_132_i_be-001.{AB} tP10 P4_{2}/mcm - Bi2O3 #132 metal-oxide; Bi2O3, ICSD #168807 A2B_tP6_136_f_a-002.{AB} tP6 P4_{2}/mnm - O2W1 #136 metal-oxide; O2W1, ICSD #647647 A2B_tP6_137_d_a-002.{AB} tP6 P4_{2}/nmc - O2Zr1 #137 metal-oxide; O2Zr1, ICSD #93028 AB_tI4_139_b_a-001.AB tI4 I4/mmm - O1Pd1 #139 metal-oxide; O1Pd1, ICSD #41617 AB_tI4_139_a_b-002.AB tI4 I4/mmm -/L2_{0} Co1O1/FeC_{x} #139 metal-oxide; Co1O1, ICSD #174027, equivalent to "Martensite Type" FeC_{x} (L2_{0}, http://aflow.org/prototype-encyclopedia/AB_tI4_139_b_a.html, part 3) AB2_tI6_139_a_e-005.{AB} tI6 I4/mmm - Ca1O2 #139 metal-oxide; Ca1O2, ICSD #20275 AB2_tI6_139_a_e-006.{AB} tI6 I4/mmm - Ba1O2 #139 metal-oxide; Ba1O2, ICSD #24729 AB3_tI32_140_ab_hk-001.{AB} tI32 I4/mcm - K1O3 #140 metal-oxide; K1O3, ICSD #28347 A2B_tI12_141_e_a-004.{AB} tI12 I4_{1}/amd - O2Ti1 #141 metal-oxide; O2Ti1, ICSD #200392 A2B_tI24_141_h_c-001.{AB} tI24 I4_{1}/amd - O2Ti1 #141 metal-oxide; O2Ti1, ICSD #93098 A4B3_tI28_141_cd_ae-001.{AB} tI28 I4_{1}/amd - Cu4O3 #141 metal-oxide; Cu4O3, ICSD #77675 A3B4_tI28_141_ad_h-002.{AB} tI28 I4_{1}/amd - Mn3O4 #141 metal-oxide; Mn3O4, ICSD #643198 A6B_hR7_148_f_a-001.{AB} hR7 R-3 - Hf1O0.1667 #148 metal-oxide; Hf1O0.1667, ICSD #174039 A2B3_hP5_150_d_e-001.{AB} hP5 P321 - La2O3 #150 metal-oxide; La2O3, ICSD #26864 AB_hP6_152_b_a-001.{AB} hP6 P3_{1}21 - Hg1O1 #152 metal-oxide; Hg1O1, ICSD #24062 A2B_hP9_152_c_a-002.{AB} hP9 P3_{1}21 - O2Ti1 #152 metal-oxide; O2Ti1, ICSD #41493 AB3_hR16_155_2c_def-001.{AB} hR16 R32 - O1Zr3 #155 metal-oxide; O1Zr3, ICSD #23402 AB_hR2_160_a_a-001.AB hR2 R3m - Bi1O1 #160 metal-oxide; Bi1O1, ICSD #30361 A2B3_hR10_160_ab_2b-001.{AB} hR10 R3m - Bi2O3 #160 metal-oxide; Bi2O3, ICSD #168810 AB6_hP7_162_a_k-001.{AB} hP7 P-31m - O1Ti6 #162 metal-oxide; O1Ti6, ICSD #20042 A3B_hP8_162_k_d-001.{AB} hP8 P-31m - Ag6O2 #162 metal-oxide; Ag6O2, ICSD #26557 AB3_hP8_162_ab_k-001.{AB} hP8 P-31m - O1Ti3 #162 metal-oxide; O1Ti3, ICSD #23575 AB6_hP14_163_c_i-001.{AB} hP14 P-31c - O1Ti6 #163 metal-oxide; O1Ti6, ICSD #17009 AB3_hP16_163_ac_i-001.{AB} hP16 P-31c - O1Ti3 #163 metal-oxide; O1Ti3, ICSD #20041 A2B_hP3_164_d_a-004.{AB} hP3 P-3m1 - O2Pt1 #164 metal-oxide; O2Pt1, ICSD #76431 A3B2_hP5_164_ad_d-005.{AB} hP5 P-3m1 - O3Sc2 #164 metal-oxide; O3Sc2, ICSD #160203 AB2_hP6_164_d_abd-001.{AB} hP6 P-3m1 - Ce1O2 #164 metal-oxide; Ce1O2, ICSD #189287 AB_hR2_166_a_b-002.AB hR2 R-3m - Fe1O1 #166 metal-oxide; Fe1O1, ICSD #82236 A2B_hR3_166_c_a-004.{AB} hR3 R-3m - Li2O1 #166 metal-oxide; Li2O1, ICSD #108886 A3B4_hR14_166_acd_ch-001.{AB} hR14 R-3m - Fe3O4 #166 metal-oxide; Fe3O4, ICSD #92356 AB_hR16_166_ab3c_4c-001.{AB} hR16 R-3m - Mg1O1 #166 metal-oxide; Mg1O1, ICSD #181459 AB3_hR8_167_b_e-001.{AB} hR8 R-3c - O1Zr3 #167 metal-oxide; O1Zr3, ICSD #27023 equivalent to 1265.AB,1265.BA [HTQC] A2B3_hR10_167_c_e-003.{AB} hR10 R-3c - Al2O3 #167 metal-oxide; Al2O3, ICSD #43732 A2B3_hR10_167_c_e-004.{AB} hR10 R-3c - Al2O3 #167 metal-oxide; Al2O3, ICSD #99783 A2B_hP6_186_ab_b-001.{AB} hP6 P6_{3}mc - O2Pt1 #186 metal-oxide; O2Pt1, ICSD #24923 AB_hP2_187_d_a-003.AB hP2 P-6m2 - Mg1O1 #187 metal-oxide; Mg1O1, ICSD #166273 A3B_hP12_191_gl_f-001.{AB} hP12 P6/mmm - O3W1 #191 metal-oxide; O3W1, ICSD #32001 equivalent to 699.AB,699.BA [HTQC], equivalent to hexagonal O3W (http://aflow.org/prototype-encyclopedia/A3B_hP12_191_gl_f.html, part 3) A3B_hP8_193_g_b-002.{AB} hP8 P6_{3}/mcm - Cs3O1 #193 metal-oxide; Cs3O1, ICSD #15695 AB_hP8_194_f_f-001.{AB} hP8 P6_{3}/mmc - Li2O2 #194 metal-oxide; Li2O2, ICSD #24143 AB_hP8_194_f_f-002.{AB} hP8 P6_{3}/mmc - Li2O2 #194 metal-oxide; Li2O2, ICSD #50658 A3B_cI32_204_g_c-002.{AB} cI32 Im-3 - O3Re1 #204 metal-oxide; O3Re1, ICSD #55462 A3B_cI32_204_g_c-003.{AB} cI32 Im-3 - O3Re1 #204 metal-oxide; O3Re1, ICSD #55469 A3B4_cF56_216_abe_2e-001.{AB} cF56 F-43m - Fe3O4 #216 metal-oxide; Fe3O4, ICSD #65338 AB2_cI24_217_c_abc-001.{AB} cI24 I-43m - O1Ta2 #217 metal-oxide; O1Ta2, ICSD #28387 AB_cP12_223_c_d.AB cP12 Pm-3n - Mg1O1 #223 metal-oxide; Mg1O1, ICSD #181465 A4B3_cP14_223_e_c.{AB} cP14 Pm-3n - O4Pt3 #223 metal-oxide; O4Pt3, ICSD #30444 A2B3_cP10_224_b_d.{AB} cP10 Pn-3m D5_{5} Ag2O3 (Mg3P2) #224 metal-oxide; Ag2O3, ICSD #15999, equivalent to Mg3P2 (D5_{5}, http://aflow.org/prototype-encyclopedia/A3B2_cP10_224_d_b.html, part 3) A3B4_cF56_227_ad_e-002.{AB} cF56 Fd-3m - Co3O4 #227 metal-oxide; Co3O4, ICSD #63164 ***************************************************************************************************************************************************** ANRL - metal oxides - TERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB3C_aP5_1_a_3a_a-001.{ABC} aP5 P1 - Cu1O3V1 #1 metal-oxide; Cu1O3V1, ICSD #9414 ABC3_aP10_1_2a_2a_6a-001.{ABC} aP10 P1 - Ca1Fe1O3 #1 metal-oxide; Ca1Fe1O3, ICSD #92339 A2B4C_aP14_1_4a_8a_2a-001.{ABC} aP14 P1 - Al2O4Pb1 #1 metal-oxide; Al2O4Pb1, ICSD #33532 A2BC4_aP14_1_4a_2a_8a-001.{ABC} aP14 P1 - Cr2Ni1O4 #1 metal-oxide; Cr2Ni1O4, ICSD #280061 AB4C3_aP16_1_2a_8a_6a-001.{ABC} aP16 P1 - Co1Na4O3 #1 metal-oxide; Co1Na4O3, ICSD #10473 AB6C2_aP9_2_a_3i_i-001.{ABC} aP9 P-1 - Cu1O6V2 #2 metal-oxide; Cu1O6V2, ICSD #28151 AB3C_aP10_2_i_3i_i-001.ABC/BCA/CAB aP10 P-1 - Mn1O3Sn1 #2 metal-oxide; Mn1O3Sn1, ICSD #29203 AB3C_aP10_2_i_3i_i-002.{ABC} aP10 P-1 - Hg1O3V1 #2 metal-oxide; Hg1O3V1, ICSD #82242 AB3C6_aP10_2_a_bi_3i-001.{ABC} aP10 P-1 - Au1Gd3O6 #2 metal-oxide; Au1Gd3O6, ICSD #411500 AB4C_aP12_2_i_4i_i-001.{ABC} aP12 P-1 - Cu1O4W1 #2 metal-oxide; Cu1O4W1, ICSD #4189 A3B8C2_aP13_2_ai_4i_i-001.{ABC} aP13 P-1 - Cu3O8V2 #2 metal-oxide; Cu3O8V2, ICSD #27184 AB3C3_aP14_2_i_3i_3i-001.{ABC} aP14 P-1 - Co2Na6O6 #2 metal-oxide; Co2Na6O6, ICSD #99580 A4BC2_aP14_2_4i_i_abcf-001.{ABC} aP14 P-1 - O4Pb1Pt2 #2 metal-oxide; O4Pb1Pt2, ICSD #59657 A4BC3_aP16_2_4i_i_3i-001.{ABC} aP16 P-1 - Cs4Fe1O3 #2 metal-oxide; Cs4Fe1O3, ICSD #423336 ABC2_mP16_4_2a_2a_4a-001.{ABC} mP16 P2_{1} - Ca1Cu1O2 #4 metal-oxide; Ca1Cu1O2, ICSD #84868 AB6C2_mC18_5_a_3c_c-001.{ABC} mC18 C2 - Cu1O6V2 #5 metal-oxide; Cu1O6V2, ICSD #21067 A6B2C_mC18_5_3c_c_a-001.{ABC} mC18 C2 - O6V2Zn1 #5 metal-oxide; O6V2Zn1, ICSD #26998 ABC4_mC24_5_c_c_4c-001.{ABC} mC24 C2 - Fe1Nb1O4 #5 metal-oxide; Fe1Nb1O4, ICSD #429 A8B3C2_mC26_5_4c_ac_c-001.{ABC} mC26 C2 - O8Pb3V2 #5 metal-oxide; O8Pb3V2, ICSD #29359 AB4C2_mC28_5_c_4c_abc-001.{ABC} mC28 C2 - Mo1O4Tl2 #5 metal-oxide; Mo1O4Tl2, ICSD #280608 AB3C_mP5_6_b_2ab_a-001.{ABC} mP5 Pm - Ba1O3Ti1 #6 metal-oxide; Ba1O3Ti1, ICSD #186460 A2BC3_mC12_8_2a_a_3a-001.{ABC} mC12 Cm - Ca2Co1O3 #8 metal-oxide; Ca2Co1O3, ICSD #95439 AB5C5_mC22_8_a_5a_5a-001.{ABC} mC22 Cm - Bi1Li5O5 #8 metal-oxide; Bi1Li5O5, ICSD #203031 ABC2_mC24_8_ab_ab_2a2b-001.ABC/BCA/CAB mC24 Cm - Li1Ni1O2 #8 metal-oxide; Li1Ni1O2, ICSD #164853 A2B6C5_mC26_8_2a_2a2b_a2b-001.{ABC} mC26 Cm - Fe2K6O5 #8 metal-oxide; Fe2K6O5, ICSD #174312 A6B2C5_mC26_8_2a2b_2a_a2b-001.{ABC} mC26 Cm - Cs6Fe2O5 #8 metal-oxide; Cs6Fe2O5, ICSD #174313 ABC3_mC20_9_a_a_3a-001.{ABC} mC20 Cc - Bi1Fe1O3 #9 metal-oxide; Bi1Fe1O3, ICSD #247765 A2B3C_mC24_9_2a_3a_a-001.{ABC} mC24 Cc - Li2O3Zr1 #9 metal-oxide; Li2O3Zr1, ICSD #31941 AB4C3_mC32_9_a_4a_3a-001.{ABC} mC32 Cc - Fe1Na4O3 #9 metal-oxide; Fe1Na4O3, ICSD #1410 AB4C3_mC32_9_a_4a_3a-002.{ABC} mC32 Cc - Co1Na4O3 #9 metal-oxide; Co1Na4O3, ICSD #10501 A4B3C_mC32_9_4a_3a_a-001.{ABC} mC32 Cc - Na4O3Sn1 #9 metal-oxide; Na4O3Sn1, ICSD #49624 ABC3_mP10_11_a_e_d2e-001.{ABC} mP10 P2_{1}/m - Bi1Fe1O3 #11 metal-oxide; Bi1Fe1O3, ICSD #162834 AB2C2_mP10_11_e_2e_2e-002.{ABC} mP10 P2_{1}/m - Cu1Na2O2 #11 metal-oxide; Cu1Na2O2, ICSD #422751 AB4C_mP12_11_e_aef_e-001.{ABC} mP12 P2_{1}/m - Ba1O4W1 #11 metal-oxide; Ba1O4W1, ICSD #155516 A2BC4_mP14_11_2e_e_4e-001.{ABC} mP14 P2_{1}/m - Al2Ca1O4 #11 metal-oxide; Al2Ca1O4, ICSD #172780 ABC2_mC8_12_a_c_i-001.{ABC} mC8 C2/m - Cu1Na1O2 #12 metal-oxide; Cu1Na1O2, ICSD #15098 ABC2_mC8_12_a_c_i-002.{ABC} mC8 C2/m - Mn1Na1O2 #12 metal-oxide; Mn1Na1O2, ICSD #16270 ABC2_mC8_12_a_c_i-003.{ABC} mC8 C2/m - Cu1Li1O2 #12 metal-oxide; Cu1Li1O2, ICSD #74978 ABC2_mC8_12_c_a_i-001.{ABC} mC8 C2/m - Na1Ni1O2 #12 metal-oxide; Na1Ni1O2, ICSD #26609 ABC2_mC8_12_c_a_i-002.{ABC} mC8 C2/m - Cu1Mn1O2 #12 metal-oxide; Cu1Mn1O2, ICSD #30379 ABC2_mC8_12_a_d_i-001.{ABC} mC8 C2/m - Cd1Hg1O2 #12 metal-oxide; Cd1Hg1O2, ICSD #74848 ABC2_mC8_12_a_d_i-002.{ABC} mC8 C2/m - Ag1Cu1O2 #12 metal-oxide; Ag1Cu1O2, ICSD #95089 AB2C_mC8_12_a_i_b-001.{ABC} mC8 C2/m - Na1O2V1 #12 metal-oxide; Na1O2V1, ICSD #420136 AB2C_mC8_12_a_i_c-001.{ABC} mC8 C2/m - Na1O2V1 #12 metal-oxide; Na1O2V1, ICSD #420138 A2BC2_mC10_12_i_a_i-002.{ABC} mC10 C2/m - Ag2Ni1O2 #12 metal-oxide; Ag2Ni1O2, ICSD #172559 AB2C2_mC10_12_a_i_i-001.{ABC} mC10 C2/m - Cu1Li2O2 #12 metal-oxide; Cu1Li2O2, ICSD #174134 ABC_mC12_12_i_i_i-002.ABC/BCA/CAB mC12 C2/m - K1O1Tl1 #12 metal-oxide; K1O1Tl1, ICSD #1570 ABC2_mC16_12_ad_i_2i-001.{ABC} mC16 C2/m - Li1Mo1O2 #12 metal-oxide; Li1Mo1O2, ICSD #165326 AB4C4_mC18_12_a_2i_j-001.{ABC} mC18 C2/m - Ir1K4O4 #12 metal-oxide; Ir1K4O4, ICSD #47223 A2B3C4_mC18_12_i_ai_2i-001.{ABC} mC18 C2/m - Cu2Li3O4 #12 metal-oxide; Cu2Li3O4, ICSD #66509 A2B5C2_mC18_12_i_a2i_i-001.{ABC} mC18 C2/m - K2O5Ti2 #12 metal-oxide; K2O5Ti2, ICSD #36097, equivalent to K2O5Ti2 (http://aflow.org/prototype-encyclopedia/A2B5C2_mC18_12_i_a2i_i.html, part 3) A4BC4_mC18_12_2i_a_j-001.{ABC} mC18 C2/m - Cs4Ir1O4 #12 metal-oxide; Cs4Ir1O4, ICSD #72287 AB6C2_mC18_12_a_3i_i-003.{ABC} mC18 C2/m - Co1O6V2 #12 metal-oxide; Co1O6V2, ICSD #188911 AB3C_mC20_12_i_ghi_e-001.{ABC} mC20 C2/m - Ba1O3Pb1 #12 metal-oxide; Ba1O3Pb1, ICSD #94313 AB8C2_mC22_12_b_ac3i_i-001.{ABC} mC22 C2/m - Mo1O8V2 #12 metal-oxide; Mo1O8V2, ICSD #28471 A2B8C_mC22_12_i_2ij_a-001.{ABC} mC22 C2/m - Mo2O8Zr1 #12 metal-oxide; Mo2O8Zr1, ICSD #280433 A7B2C2_mC22_12_aij_i_h-001.{ABC} mC22 C2/m - O7V2Zn2 #12 metal-oxide; O7V2Zn2, ICSD #250002 A3BC8_mC24_12_ci_a_2ij-001.{ABC} mC24 C2/m - Cr3K1O8 #12 metal-oxide; Cr3K1O8, ICSD #15898 A3BC8_mC24_12_ci_a_2ij-002.{ABC} mC24 C2/m - Cr3Na1O8 #12 metal-oxide; Cr3Na1O8, ICSD #82620 A3BC8_mC24_12_ci_a_2ij-003.{ABC} mC24 C2/m - Cr3In1O8 #12 metal-oxide; Cr3In1O8, ICSD #155504 A3BC8_mC24_12_ci_a_2ij-004.{ABC} mC24 C2/m - Cr3K1O8 #12 metal-oxide; Cr3K1O8, ICSD #246524 ABC4_mC24_12_i_i_4i-001.{ABC} mC24 C2/m - Fe1Nb1O4 #12 metal-oxide; Fe1Nb1O4, ICSD #14016, equivalent to AlNbO4 (http://aflow.org/prototype-encyclopedia/ABC4_mC24_12_i_i_4i.html, part 3) AB4C_mC24_12_i_2ij_g-001.{ABC} mC24 C2/m - Al1O4W1 #12 metal-oxide; Al1O4W1, ICSD #4164 AB4C_mC24_12_i_2ij_g-002.{ABC} mC24 C2/m - Cr1O4Re1 #12 metal-oxide; Cr1O4Re1, ICSD #173875 A2BC3_mC24_12_acg_h_ij-001.{ABC} mC24 C2/m - Li2Ni1O3 #12 metal-oxide; Li2Ni1O3, ICSD #153094 A4B7C_mC24_12_2i_b3i_a-001.{ABC} mC24 C2/m - La4O7Pd1 #12 metal-oxide; La4O7Pd1, ICSD #65032 A5B6C_mC24_12_dgh_ij_a-001.{ABC} mC24 C2/m - Li5O6Re1 #12 metal-oxide; Li5O6Re1, ICSD #38381 A5B6C_mC24_12_dgh_ij_a-002.{ABC} mC24 C2/m - Na5O6Re1 #12 metal-oxide; Na5O6Re1, ICSD #38382 A3B8C_mC24_12_ci_2ij_a-001.{ABC} mC24 C2/m - Cr3O8Tl1 #12 metal-oxide; Cr3O8Tl1, ICSD #155505 AB3C8_mC24_12_a_ci_2ij-001.{ABC} mC24 C2/m - Ag1Cr3O8 #12 metal-oxide; Ag1Cr3O8, ICSD #155507 A3BC8_mC24_12_di_a_2ij-001.{ABC} mC24 C2/m - Cr3Li1O8 #12 metal-oxide; Cr3Li1O8, ICSD #155851 A4BC8_mC26_12_2i_a_4i-001.{ABC} mC26 C2/m - Cr8K2O16 #12 metal-oxide; Cr8K2O16, ICSD #491 A2B3C8_mC26_12_i_ah_2ij-001.{ABC} mC26 C2/m - Cu2Mn3O8 #12 metal-oxide; Cu2Mn3O8, ICSD #971 A2B3C8_mC26_12_i_ah_2ij-002.{ABC} mC26 C2/m - Cd2Mn3O8 #12 metal-oxide; Cd2Mn3O8, ICSD #16957 A3B8C2_mC26_12_ai_2ij_i-001.{ABC} mC26 C2/m - Ca3O8V2 #12 metal-oxide; Ca3O8V2, ICSD #412273 A6B2C5_mC26_12_ghi_i_aj-001.{ABC} mC26 C2/m - Cs6Fe2O5 #12 metal-oxide; Cs6Fe2O5, ICSD #73134 A4B3C6_mC26_12_2i_ai_hj-001.{ABC} mC26 C2/m - K4Ni3O6 #12 metal-oxide; K4Ni3O6, ICSD #426450 A4B7C2_mC26_12_aci_bij_i-001.{ABC} mC26 C2/m - K4O7V2 #12 metal-oxide; K4O7V2, ICSD #250388 AB4C8_mC26_12_a_2i_4i-001.{ABC} mC26 C2/m - Ba2Mn8O16 #12 metal-oxide; Ba2Mn8O16, ICSD #62096 A4BC8_mC26_12_2i_a_4i-002.{ABC} mC26 C2/m - Ir1K0.25O2 #12 metal-oxide; Ir1K0.25O2, ICSD #80336 A4B8C_mC26_12_2i_4i_a-001.{ABC} mC26 C2/m - Ga4O8Ti1 #12 metal-oxide; Ga4O8Ti1, ICSD #155638 AB3C3_mC28_12_i_ghi_ij-001.{ABC} mC28 C2/m - Ga2K6O6 #12 metal-oxide; Ga2K6O6, ICSD #2269 AB2C4_mC28_12_i_2i_4i-001.{ABC} mC28 C2/m - Hg1Ho2O4 #12 metal-oxide; Hg1Ho2O4, ICSD #69734 A2BC4_mC28_12_2i_i_2ij-001.{ABC} mC28 C2/m - K2Mo1O4 #12 metal-oxide; K2Mo1O4, ICSD #16154 A2B4C_mC28_12_2i_4i_i-001.{ABC} mC28 C2/m - Bi2O4Sr1 #12 metal-oxide; Bi2O4Sr1, ICSD #80668 A3B10C2_mC30_12_ah_3ij_i-001.{ABC} mC30 C2/m - La3O10Os2 #12 metal-oxide; La3O10Os2, ICSD #10104 A10B3C2_mC30_12_3ij_ah_i-001.{ABC} mC30 C2/m - O10Ru3Sr2 #12 metal-oxide; O10Ru3Sr2, ICSD #50707 AB5C2_mC32_12_i_g2ij_2i-001.{ABC} mC32 C2/m - Cr1O5Pb2 #12 metal-oxide; Cr1O5Pb2, ICSD #29269 AB5C2_mC32_12_i_g2ij_2i-002.{ABC} mC32 C2/m - Cr1O5Pb2 #12 metal-oxide; Cr1O5Pb2, ICSD #201562 A5B2C_mC32_12_g2ij_2i_i-001.{ABC} mC32 C2/m - O5Pb2W1 #12 metal-oxide; O5Pb2W1, ICSD #61399 AB4C_mP12_13_f_2g_e-003.{ABC} mP12 P2/c - Mg1O4W1 #13 metal-oxide; Mg1O4W1, ICSD #36310 AB4C_mP12_13_f_2g_e-004.{ABC} mP12 P2/c - Cu1O4W1 #13 metal-oxide; Cu1O4W1, ICSD #182751 AB4C_mP12_13_e_2g_f-001.{ABC} mP12 P2/c - Mo1O4Zn1 #13 metal-oxide; Mo1O4Zn1, ICSD #236416 AB4C_mP12_13_e_2g_f-002.{ABC} mP12 P2/c - Nd1O4Ta1 #13 metal-oxide; Nd1O4Ta1, ICSD #415430 AB3C4_mP16_13_e_e2f_2g-001.{ABC} mP16 P2/c - Bi1Na3O4 #13 metal-oxide; Bi1Na3O4, ICSD #10319 A2B2C3_mP14_14_e_e_ae-001.{ABC} mP14 P2_{1}/c - Cd2K2O3 #14 metal-oxide; Cd2K2O3, ICSD #16223 AB2C_mP16_14_e_2e_e-001.{ABC} mP16 P2_{1}/c - Li1O2Y1 #14 metal-oxide; Li1O2Y1, ICSD #45511 ABC2_mP16_14_e_e_2e-001.{ABC} mP16 P2_{1}/c - Ce1Li1O2 #14 metal-oxide; Ce1Li1O2, ICSD #47116 ABC2_mC16_15_e_e_f-001.{ABC} mC16 C2/c - Bi1Na1O2 #15 metal-oxide; Bi1Na1O2, ICSD #10317 ABC2_mC16_15_e_e_f-002.{ABC} mC16 C2/c - Bi1K1O2 #15 metal-oxide; Bi1K1O2, ICSD #16239 ABC2_mC16_15_e_e_f-003.{ABC} mC16 C2/c - Bi1Cs1O2 #15 metal-oxide; Bi1Cs1O2, ICSD #406564 AB2C_mC16_15_e_f_e-001.{ABC} mC16 C2/c - Bi1O2Rb1 #15 metal-oxide; Bi1O2Rb1, ICSD #407208 ABC3_mC20_15_a_e_ef-001.{ABC} mC20 C2/c - Al1La1O3 #15 metal-oxide; Al1La1O3, ICSD #180415 A2B2C_mC20_15_ac_f_e-001.{ABC} mC20 C2/c - Cu2O2Pb1 #15 metal-oxide; Cu2O2Pb1, ICSD #400657 ABC4_mC24_15_a_e_2f-001.{ABC} mC24 C2/c - Hg1Mo1O4 #15 metal-oxide; Hg1Mo1O4, ICSD #2533 ABC4_mC24_15_e_e_2f-001.{ABC} mC24 C2/c - La1Nb1O4 #15 metal-oxide; La1Nb1O4, ICSD #10123 AB4C_mC24_15_e_2f_e-001.{ABC} mC24 C2/c - Nb1O4Y1 #15 metal-oxide; Nb1O4Y1, ICSD #20335 AB4C_mC24_15_a_2f_e-001.{ABC} mC24 C2/c - Hg1O4W1 #15 metal-oxide; Hg1O4W1, ICSD #169668 A2B4C_mC28_15_f_2f_e-002.{ABC} mC28 C2/c - Li2O4W1 #15 metal-oxide; Li2O4W1, ICSD #1044 A2B4C_mC28_15_f_2f_e-003.{ABC} mC28 C2/c - Li2O4W1 #15 metal-oxide; Li2O4W1, ICSD #14196 A2BC4_mC28_15_f_e_2f-001.{ABC} mC28 C2/c - Hg2Mo1O4 #15 metal-oxide; Hg2Mo1O4, ICSD #90084 A3B4C_mC32_15_cf_2f_e-001.{ABC} mC32 C2/c - Ag3O4V1 #15 metal-oxide; Ag3O4V1, ICSD #249417 A2B5C_mC32_15_f_e2f_c-001.{ABC} mC32 C2/c - Fe2O5Ti1 #15 metal-oxide; Fe2O5Ti1, ICSD #24416 ABC2_mC32_15_2e_2e_2f-001.{ABC} mC32 C2/c - Er1Na1O2 #15 metal-oxide; Er1Na1O2, ICSD #2739 A3B4C_oP16_31_ab_2ab_a-001.{ABC} oP16 Pmn2_{1} - Li3O4V1 #31 metal-oxide; Li3O4V1, ICSD #19002 ABC2_oP16_33_a_a_2a-002.{ABC} oP16 Pna2_{1} - Ga1Na1O2 #33 metal-oxide; Ga1Na1O2, ICSD #4416 ABC2_oP16_33_a_a_2a-003.ABC/BCA/CAB oP16 Pna2_{1} - Ga1Li1O2 #33 metal-oxide; Ga1Li1O2, ICSD #18152, equivalent to GaLiO2 (http://aflow.org/prototype-encyclopedia/ABC2_oP16_33_a_a_2a.html, part 3) ABC2_oP16_33_a_a_2a-004.{ABC} oP16 Pna2_{1} - Fe1Na1O2 #33 metal-oxide; Fe1Na1O2, ICSD #27117 ABC2_oP16_33_a_a_2a-005.{ABC} oP16 Pna2_{1} - Ga1Na1O2 #33 metal-oxide; Ga1Na1O2, ICSD #36652 ABC2_oP16_33_a_a_2a-006.{ABC} oP16 Pna2_{1} - Ag1Al1O2 #33 metal-oxide; Ag1Al1O2, ICSD #160643 AB8C2_oC22_35_a_ab3e_e-002.{ABC} oC22 Cmm2 - Mo1O8V2 #35 metal-oxide; Mo1O8V2, ICSD #25378 ABC3_oC20_36_a_a_3a-001.{ABC} oC20 Cmc2_{1} - Ca1Ir1O3 #36 metal-oxide; Ca1Ir1O3, ICSD #159030 AB3C_oC20_36_a_ab_a-001.ABC/BCA/CAB oC20 Cmc2_{1} - Mg1O3V1 #36 metal-oxide; Mg1O3V1, ICSD #284 A2BC2_oC20_36_2a_a_2a-001.{ABC} oC20 Cmc2_{1} - Na2Ni1O2 #36 metal-oxide; Na2Ni1O2, ICSD #14159 A2B3C_oC24_36_b_ab_a-003.{ABC} oC24 Cmc2_{1} - Cs2O3Pr1 #36 metal-oxide; Cs2O3Pr1, ICSD #1181 AB4C_oC24_36_a_4a_a-001.{ABC} oC24 Cmc2_{1} - La1O4Ta1 #36 metal-oxide; La1O4Ta1, ICSD #97688 AB5C2_oC32_36_a_5a_2a-001.{ABC} oC32 Cmc2_{1} - Li1O5V2 #36 metal-oxide; Li1O5V2, ICSD #23817 ABC3_oC10_38_a_b_ae-001.{ABC} oC10 Amm2 - K1Nb1O3 #38 metal-oxide; K1Nb1O3, ICSD #9533 AB3C_oC10_38_b_ad_a-001.{ABC} oC10 Amm2 - Ba1O3Ti1 #38 metal-oxide; Ba1O3Ti1, ICSD #154346 AB3C_oC10_38_b_ad_a-002.{ABC} oC10 Amm2 - Ba1O3Ti1 #38 metal-oxide; Ba1O3Ti1, ICSD #161341 AB3C_oC10_38_a_ae_b-001.{ABC} oC10 Amm2 - Ba1O3Ti1 #38 metal-oxide; Ba1O3Ti1, ICSD #161419 ABC_oC12_40_b_a_b-001.{ABC} oC12 Ama2 - Cs1Cu1O1 #40 metal-oxide; Cs1Cu1O1, ICSD #37079 A2B4C_oC28_40_c_abc_b-001.{ABC} oC28 Ama2 - Al2O4Pb1 #40 metal-oxide; Al2O4Pb1, ICSD #80128 A3BC_oI20_46_a2b_a_b-001.{ABC} oI20 Ima2 - O3Sr1Ti1 #46 metal-oxide; O3Sr1Ti1, ICSD #182248 ABC2_oP4_47_a_g_s-001.{ABC} oP4 Pmmm - Au1K1O2 #47 metal-oxide; Au1K1O2, ICSD #15115 A3BC_oP5_47_bce_h_a-001.{ABC} oP5 Pmmm - O3Pb1Ti1 #47 metal-oxide; O3Pb1Ti1, ICSD #27949 AB4C_oP12_50_a_m_c-001.{ABC} oP12 Pban - Ce1O4Zr1 #50 metal-oxide; Ce1O4Zr1, ICSD #164740 A4BC2_oP14_55_gh_a_h-001.{ABC} oP14 Pbam - O4Pb1Sr2 #55 metal-oxide; O4Pb1Sr2, ICSD #4418 A2B4C_oP14_55_h_gh_a-001.{ABC} oP14 Pbam - Cd2O4Sn1 #55 metal-oxide; Cd2O4Sn1, ICSD #9010 AB2C_oP8_58_c_g_a-001.ABC/BCA/CAB oP8 Pnnm - Li1O2Ru1 #58 metal-oxide; Li1O2Ru1, ICSD #48007 ABC2_oP8_59_a_a_2b-002.ABC/BCA/CAB oP8 Pmmn - Mn1Na1O2 #59 metal-oxide; Mn1Na1O2, ICSD #16271 ABC2_oP8_59_a_a_2b-003.ABC/BCA/CAB oP8 Pmmn - Li1Mn1O2 #59 metal-oxide; Li1Mn1O2, ICSD #84642 A2BC3_oP12_59_e_a_be-001.{ABC} oP12 Pmmn - Cu2Mg1O3 #59 metal-oxide; Cu2Mg1O3, ICSD #4202 A2B3C_oP12_59_e_be_a-001.{ABC} oP12 Pmmn - Cu2O3Sr1 #59 metal-oxide; Cu2O3Sr1, ICSD #95957 AB5C2_oP16_59_b_a2e_e-001.{ABC} oP16 Pmmn - Na1O5V2 #59 metal-oxide; Na1O5V2, ICSD #59345 AB2C_oP16_59_e_2e_e-001.{ABC} oP16 Pmmn - Li1O2Tb1 #59 metal-oxide; Li1O2Tb1, ICSD #21013 AB5C2_oP16_59_a_b2e_e-001.{ABC} oP16 Pmmn - Li1O5V2 #59 metal-oxide; Li1O5V2, ICSD #88643 ABC2_oP16_59_e_e_2e-001.{ABC} oP16 Pmmn - Gd1Li1O2 #59 metal-oxide; Gd1Li1O2, ICSD #27769 ABC_oP12_62_c_c_c-015.{ABC} oP12 Pnma - Li1O1Rb1 #62 metal-oxide; Li1O1Rb1, ICSD #65170 ABC2_oP16_62_c_c_2c-001.{ABC} oP16 Pnma - Eu1Li1O2 #62 metal-oxide; Eu1Li1O2, ICSD #422560 ABC_oC12_63_c_a_c-001.{ABC} oC12 Cmcm - Cs1Cu1O1 #63 metal-oxide; Cs1Cu1O1, ICSD #40161 ABC2_oC16_63_c_c_f-001.{ABC} oC16 Cmcm - Cu1K1O2 #63 metal-oxide; Cu1K1O2, ICSD #15095 ABC2_oC16_63_c_c_f-002.{ABC} oC16 Cmcm - Cs1Cu1O2 #63 metal-oxide; Cs1Cu1O2, ICSD #15097 ABC2_oC16_63_c_c_f-003.{ABC} oC16 Cmcm - Au1Na1O2 #63 metal-oxide; Au1Na1O2, ICSD #409547 ABC2_oC16_63_c_a_g-001.{ABC} oC16 Cmcm - Ba1Ni1O2 #63 metal-oxide; Ba1Ni1O2, ICSD #15760 ABC3_oC20_63_c_a_cf-002.{ABC} oC20 Cmcm - Ca1Ir1O3 #63 metal-oxide; Ca1Ir1O3, ICSD #159026 ABC3_oC20_63_a_c_cf-001.{ABC} oC20 Cmcm - Ir1Na1O3 #63 metal-oxide; Ir1Na1O3, ICSD #261371 AB4C_oC24_63_c_acf_c-001.{ABC} oC24 Cmcm - Bi1O4Re1 #63 metal-oxide; Bi1O4Re1, ICSD #10481 AB4C_oC24_63_a_fg_c-002.{ABC} oC24 Cmcm - In1O4V1 #63 metal-oxide; In1O4V1, ICSD #10431 A2B3C_oC24_63_g_ce_c-001.{ABC} oC24 Cmcm - Cs2O3Pb1 #63 metal-oxide; Cs2O3Pb1, ICSD #62140 AB4C_oC24_63_a_fg_c-003.{ABC} oC24 Cmcm - Cr1O4V1 #63 metal-oxide; Cr1O4V1, ICSD #27508 ABC4_oC24_63_c_a_fg-001.{ABC} oC24 Cmcm - Cr1Cu1O4 #63 metal-oxide; Cr1Cu1O4, ICSD #60825 ABC4_oC24_63_c_a_fg-002.{ABC} oC24 Cmcm - Cr1Hg1O4 #63 metal-oxide; Cr1Hg1O4, ICSD #416147 AB4C2_oC28_63_c_acf_f-001.{ABC} oC28 Cmcm - Ca1O4Tl2 #63 metal-oxide; Ca1O4Tl2, ICSD #79371 A2BC4_oC28_63_f_c_acf-001.{ABC} oC28 Cmcm - Al2Mg1O4 #63 metal-oxide; Al2Mg1O4, ICSD #161057 AB5C2_oC32_63_c_c2f_f-002.{ABC} oC32 Cmcm - Mg1O5V2 #63 metal-oxide; Mg1O5V2, ICSD #50979 AB5C2_oC32_63_c_c2f_f-003.{ABC} oC32 Cmcm - Li1O5V2 #63 metal-oxide; Li1O5V2, ICSD #50980 ABC_oC24_64_d_f_f-001.{ABC} oC24 Cmce - K1Li1O1 #64 metal-oxide; K1Li1O1, ICSD #30964 AB2C4_oC28_64_a_f_ef-001.{ABC} oC28 Cmce - Cu1La2O4 #64 metal-oxide; Cu1La2O4, ICSD #67836 AB2C4_oC28_64_a_f_ef-002.{ABC} oC28 Cmce - Cu1Nd2O4 #64 metal-oxide; Cu1Nd2O4, ICSD #86754 AB4C2_oC28_64_a_ef_f-001.{ABC} oC28 Cmce - Cu1O4Pr2 #64 metal-oxide; Cu1O4Pr2, ICSD #91073 ABC3_oC10_65_a_c_bf-001.{ABC} oC10 Cmmm - Na1Nb1O3 #65 metal-oxide; Na1Nb1O3, ICSD #28564 AB4C_oC12_65_a_hi_c-001.ABC/BCA/CAB oC12 Cmmm - Co1O4Re1 #65 metal-oxide; Co1O4Re1, ICSD #72872 A2B3C_oC12_65_i_ai_c-001.{ABC} oC12 Cmmm - Cu2O3Sr1 #65 metal-oxide; Cu2O3Sr1, ICSD #99041 A2B3C_oC12_65_j_bj_a-001.{ABC} oC12 Cmmm - Li2O3Pr1 #65 metal-oxide; Li2O3Pr1, ICSD #154704 equivalent to Li2O3Pr (http://aflow.org/prototype-encyclopedia/A2B3C_oC12_65_h_bh_a.html, part 3) AB3C4_oC16_65_b_ai_p-001.{ABC} oC16 Cmmm - Ba1Cu3O4 #65 metal-oxide; Ba1Cu3O4, ICSD #65881 AB2C_oC16_65_i_n_ad-001.{ABC} oC16 Cmmm - O1Ti2Zr1 #65 metal-oxide; O1Ti2Zr1, ICSD #9389 AB3C4_oC16_65_c_ai_p-001.{ABC} oC16 Cmmm - Ba1Cu3O4 #65 metal-oxide; Ba1Cu3O4, ICSD #83079 AB3C4_oC16_65_d_ai_p-001.{ABC} oC16 Cmmm - Ba1Cu3O4 #65 metal-oxide; Ba1Cu3O4, ICSD #89232 AB6C3_oC20_65_b_jp_af-001.{ABC} oC20 Cmmm - Mn1O6Pt3 #65 metal-oxide; Mn1O6Pt3, ICSD #35337 A3B5C2_oC20_65_ai_b2i_j-001.{ABC} oC20 Cmmm - Cu6O10Sr4 #65 metal-oxide; Cu6O10Sr4, ICSD #50089 AB3C_oC20_65_i_acm_j-001.ABC/BCA/CAB oC20 Cmmm - Mg1O3V1 #65 metal-oxide; Mg1O3V1, ICSD #15927 A3B7C_oC22_65_af_cjp_b-001.{ABC} oC22 Cmmm - La3O7Ta1 #65 metal-oxide; La3O7Ta1, ICSD #168909 A2BC4_oC28_65_ij_ac_ijo-001.{ABC} oC28 Cmmm - La2Ni1O4 #65 metal-oxide; La2Ni1O4, ICSD #78338 A2BC_oC16_67_m_g_a-001.{ABC} oC16 Cmme - Ba2Na1O1 #67 metal-oxide; Ba2Na1O1, ICSD #411905 A2B3C2_oF28_69_h_ah_g-001.{ABC} oF28 Fmmm - Cu2O3Sr2 #69 metal-oxide; Cu2O3Sr2, ICSD #68676 AB4C2_oF28_69_a_cg_g-001.{ABC} oF28 Fmmm - Ni1O4Pr2 #69 metal-oxide; Ni1O4Pr2, ICSD #81577 A4BC_oF48_70_h_b_a-001.{ABC} oF48 Fddd - O4Tb1V1 #70 metal-oxide; O4Tb1V1, ICSD #88369 A2BC4_oF56_70_d_a_h-001.{ABC} oF56 Fddd - Cr2Mg1O4 #70 metal-oxide; Cr2Mg1O4, ICSD #290589 AB2C4_oF56_70_a_g_h-001.{ABC} oF56 Fddd - Mo1Na2O4 #70 metal-oxide; Mo1Na2O4, ICSD #151971 A2B2C_oI10_71_f_h_a-003.{ABC} oI10 Immm - K2O2Pd1 #71 metal-oxide; K2O2Pd1, ICSD #6158 A2B2C_oI10_71_e_f_a-001.{ABC} oI10 Immm - Li2O2Pd1 #71 metal-oxide; Li2O2Pd1, ICSD #19007 A2B2C_oI10_71_e_f_a-002.{ABC} oI10 Immm - Na2O2Pt1 #71 metal-oxide; Na2O2Pt1, ICSD #25018 A2B2C_oI10_71_e_f_a-003.{ABC} oI10 Immm - Ag2O2Pd1 #71 metal-oxide; Ag2O2Pd1, ICSD #51498 A2B2C_oI10_71_e_f_a-004.{ABC} oI10 Immm - Li2O2Pd1 #71 metal-oxide; Li2O2Pd1, ICSD #61199 AB2C2_oI10_71_a_e_f-001.{ABC} oI10 Immm - Cu1Li2O2 #71 metal-oxide; Cu1Li2O2, ICSD #25001 AB2C3_oI12_71_b_e_af-001.{ABC} oI12 Immm - Ba1Mn2O3 #71 metal-oxide; Ba1Mn2O3, ICSD #10038 A2BC3_oI12_71_e_a_de-002.{ABC} oI12 Immm - Ba2Cu1O3 #71 metal-oxide; Ba2Cu1O3, ICSD #68217 A2BC3_oI12_71_e_a_de-003.{ABC} oI12 Immm - Ca2Cu1O3 #71 metal-oxide; Ca2Cu1O3, ICSD #93651 ABC2_oI16_71_e_e_2f-001.{ABC} oI16 Immm - Li1Mn1O2 #71 metal-oxide; Li1Mn1O2, ICSD #15768 A2B4C3_oI18_71_f_n_ae-001.{ABC} oI18 Immm - Na2O4Pd3 #71 metal-oxide; Na2O4Pd3, ICSD #6157 A3B5C2_oI20_71_ae_def_e-001.{ABC} oI20 Immm - Cu3O5Sr2 #71 metal-oxide; Cu3O5Sr2, ICSD #416904 A5B2C7_oI28_71_aef_g_dhn-001.{ABC} oI28 Immm - Au5O2Rb7 #71 metal-oxide; Au5O2Rb7, ICSD #91309 A2B2C_oI20_72_j_j_a-002.{ABC} oI20 Ibam - K2O2Zn1 #72 metal-oxide; K2O2Zn1, ICSD #34603 AB3C2_oI24_72_c_bf_j-001.{ABC} oI24 Ibam - Ag1Na3O2 #72 metal-oxide; Ag1Na3O2, ICSD #16919 A3BC2_oI24_72_ce_b_j-001.{ABC} oI24 Ibam - Ag3Li1O2 #72 metal-oxide; Ag3Li1O2, ICSD #4204 ABC2_oI32_72_j_f_2j-001.{ABC} oI32 Ibam - Bi1Li1O2 #72 metal-oxide; Bi1Li1O2, ICSD #25385 A2BC_oI16_74_f_e_c-001.{ABC} oI16 Imma - O2Pb1Pd1 #74 metal-oxide; O2Pb1Pd1, ICSD #2277 AB3C_oI20_74_e_ef_c-001.{ABC} oI20 Imma - Ba1O3Pb1 #74 metal-oxide; Ba1O3Pb1, ICSD #15933 A2B2C_oI20_74_ac_i_e-001.{ABC} oI20 Imma - Cu2O2Tl1 #74 metal-oxide; Cu2O2Tl1, ICSD #36535 ABC4_oI24_74_e_e_hi-001.{ABC} oI24 Imma - Cr1Dy1O4 #74 metal-oxide; Cr1Dy1O4, ICSD #93789 A2BC4_tI28_79_c_2a_2c-001.{ABC} tI28 I4 - Bi2Cu1O4 #79 metal-oxide; Bi2Cu1O4, ICSD #12104 ABC_tI24_82_g_g_g-001.{ABC} tI24 I-4 - Ag1K1O1 #82 metal-oxide; Ag1K1O1, ICSD #25744 AB5C_tP14_85_a_cg_c-001.{ABC} tP14 P4/n - Mo1O5V1 #85 metal-oxide; Mo1O5V1, ICSD #27315 AB4C4_tI18_87_a_h_h-001.{ABC} tI18 I4/m - Ir1Na4O4 #87 metal-oxide; Ir1Na4O4, ICSD #67826 ABC_tI24_87_h_h_h-001.{ABC} tI24 I4/m - Cu1Na1O1 #87 metal-oxide; Cu1Na1O1, ICSD #15099 ABC_tI24_87_h_h_h-002.{ABC} tI24 I4/m - Cu1O1Rb1 #87 metal-oxide; Cu1O1Rb1, ICSD #15100 AB8C4_tI26_87_a_2h_h-001.{ABC} tI26 I4/m - K1O8Ru4 #87 metal-oxide; K1O8Ru4, ICSD #1562 AB8C4_tI26_87_a_2h_h-002.{ABC} tI26 I4/m - K2O16V8 #87 metal-oxide; K2O16V8, ICSD #100596 A2B5C_tI32_87_h_di_e-001.{ABC} tI32 I4/m - La4O10Re2 #87 metal-oxide; La4O10Re2, ICSD #81 A4BC_tI24_88_f_a_b-001.{ABC} tI24 I4_{1}/a - O4Pb1W1 #88 metal-oxide; O4Pb1W1, ICSD #16189 AB4C_tI24_88_a_f_b-001.{ABC} tI24 I4_{1}/a - Mo1O4Pb1 #88 metal-oxide; Mo1O4Pb1, ICSD #39137 AB4C_tI24_88_a_f_b-002.{ABC} tI24 I4_{1}/a - Ba1O4W1 #88 metal-oxide; Ba1O4W1, ICSD #52384 ABC4_tI24_88_a_b_f-003.{ABC} tI24 I4_{1}/a - Ca1Mo1O4 #88 metal-oxide; Ca1Mo1O4, ICSD #77334 AB4C_tI24_88_b_f_a-001.ABC/BCA/CAB tI24 I4_{1}/a - Ba1O4W1 #88 metal-oxide; Ba1O4W1, ICSD #169094 A4B2C_tI28_88_f_d_a-001.{ABC} tI28 I4_{1}/a - O4Pd2Pr1 #88 metal-oxide; O4Pd2Pr1, ICSD #78843 A2BC4_tI28_88_d_a_f-001.{ABC} tI28 I4_{1}/a - Au2Ba1O4 #88 metal-oxide; Au2Ba1O4, ICSD #80327 ABC2_tP16_92_a_a_b-001.{ABC} tP16 P4_{1}2_{1}2 - Al1Li1O2 #92 metal-oxide; Al1Li1O2, ICSD #23815 ABC2_tP16_92_a_a_b-002.{ABC} tP16 P4_{1}2_{1}2 - Fe1Na1O2 #92 metal-oxide; Fe1Na1O2, ICSD #33768 ABC2_tP16_92_a_a_b-003.{ABC} tP16 P4_{1}2_{1}2 - Al1K1O2 #92 metal-oxide; Al1K1O2, ICSD #151883 A3BC_tP5_99_ac_b_a-001.{ABC} tP5 P4mm - O3Pb1V1 #99 metal-oxide; O3Pb1V1, ICSD #152276 ABC3_tP5_99_b_a_ac-001.{ABC} tP5 P4mm - Bi1Fe1O3 #99 metal-oxide; Bi1Fe1O3, ICSD #188467 A6B5C_tI24_107_bc_ad_a-001.{ABC} tI24 I4mm - Na6O5Pb1 #107 metal-oxide; Na6O5Pb1, ICSD #15102 A2B4C_tI28_108_c_d_a-001.{ABC} tI28 I4cm - Bi2O4Pd1 #108 metal-oxide; Bi2O4Pd1, ICSD #9622 ABC2_tP8_113_c_a_e-001.{ABC} tP8 P-42_{1}m - Ca1Fe1O2 #113 metal-oxide; Ca1Fe1O2, ICSD #246244 ABC_tI24_119_g_i_i-001.{ABC} tI24 I-4m2 - Cu1Li1O1 #119 metal-oxide; Cu1Li1O1, ICSD #282 ABC_tI24_119_g_i_i-002.{ABC} tI24 I-4m2 - Ag1K1O1 #119 metal-oxide; Ag1K1O1, ICSD #24818 ABC_tI24_119_g_i_i-003.{ABC} tI24 I-4m2 - Ag1Na1O1 #119 metal-oxide; Ag1Na1O1, ICSD #49752 ABC_tI24_119_g_i_i-004.{ABC} tI24 I-4m2 - Ag1Cs1O1 #119 metal-oxide; Ag1Cs1O1, ICSD #49754 ABC_tI24_119_g_i_i-005.{ABC} tI24 I-4m2 - Cu1Li1O1 #119 metal-oxide; Cu1Li1O1, ICSD #49755 A3B4C_tI16_121_bd_i_a-001.{ABC} tI16 I-42m - K3O4V1 #121 metal-oxide; K3O4V1, ICSD #4138 A3B4C_tI16_121_bd_i_a-002.{ABC} tI16 I-42m - Ag3O4V1 #121 metal-oxide; Ag3O4V1, ICSD #417470 A2BC6_tI18_121_e_a_di-001.{ABC} tI18 I-42m - La2Mo1O6 #121 metal-oxide; La2Mo1O6, ICSD #25611 AB3C8_tI24_121_a_bd_2i-001.{ABC} tI24 I-42m - Cr1K3O8 #121 metal-oxide; Cr1K3O8, ICSD #9356, equivalent to Cr1K3O8 (http://aflow.org/prototype-encyclopedia/AB3C8_tI24_121_a_bd_2i.html, part 3) A3BC8_tI24_121_bd_a_2i-001.{ABC} tI24 I-42m - K3Nb1O8 #121 metal-oxide; K3Nb1O8, ICSD #30405 ABC2_tI16_122_b_a_d-001.{ABC} tI16 I-42d - Co1K1O2 #122 metal-oxide; Co1K1O2, ICSD #4199 A2BC4_tI28_122_d_a_e-001.{ABC} tI28 I-42d - Cr2Cu1O4 #122 metal-oxide; Cr2Cu1O4, ICSD #16708 AB3C_tP5_123_c_ae_b-001.{ABC} tP5 P4/mmm - Ba1O3Ti1 #123 metal-oxide; Ba1O3Ti1, ICSD #27965 AB3C_tP5_123_a_be_d-001.{ABC} tP5 P4/mmm - Ba1O3Ti1 #123 metal-oxide; Ba1O3Ti1, ICSD #109327 ABC3_tP5_123_c_b_ae-001.{ABC} tP5 P4/mmm - Ca1Mn1O3 #123 metal-oxide; Ca1Mn1O3, ICSD #168904 AB4C6_tP11_123_a_eh_bci-001.{ABC} tP11 P4/mmm - Ba1Nb4O6 #123 metal-oxide; Ba1Nb4O6, ICSD #42006 A5B9C2_tP16_123_bfg_cegi_h-001.{ABC} tP16 P4/mmm - Nb5O9Sr2 #123 metal-oxide; Nb5O9Sr2, ICSD #42007 AB3C_tP10_127_c_bg_a-001.{ABC} tP10 P4/mbm - Na1O3Ta1 #127 metal-oxide; Na1O3Ta1, ICSD #23322 ABC_tP6_129_c_a_c-002.{ABC} tP6 P4/nmm - K1Na1O1 #129 metal-oxide; K1Na1O1, ICSD #32743 AB4C2_tP14_131_c_n_j-001.{ABC} tP14 P4_{2}/mmc - Ca1O4Pt2 #131 metal-oxide; Ca1O4Pt2, ICSD #6159 A3BC2_tP12_136_ad_b_f-001.{ABC} tP12 P4_{2}/mnm - K3Ni1O2 #136 metal-oxide; K3Ni1O2, ICSD #262579 AB2C2_tI10_139_a_e_d-001.{ABC} tI10 I4/mmm - Bi1Ce2O2 #139 metal-oxide; Bi1Ce2O2, ICSD #9099 equivalent to Co2S2Tl (http://aflow.org/prototype-encyclopedia/A2B2C_tI10_139_d_e_a.TlCo2S2.html, part 3) AB2C2_tI10_139_a_e_e-001.{ABC} tI10 I4/mmm - Hg1Na2O2 #139 metal-oxide; Hg1Na2O2, ICSD #25511 AB2C4_tI14_139_a_e_cd-001.{ABC} tI14 I4/mmm - Cu1Nd2O4 #139 metal-oxide; Cu1Nd2O4, ICSD #4203 AB2C4_tI14_139_a_e_cd-002.{ABC} tI14 I4/mmm - Cu1La2O4 #139 metal-oxide; Cu1La2O4, ICSD #261660 A2B4C_tI14_139_e_ce_a-001.{ABC} tI14 I4/mmm - Ba2O4Pb1 #139 metal-oxide; Ba2O4Pb1, ICSD #27113 AB2C4_tI14_139_a_e_ce-003.{ABC} tI14 I4/mmm - Cu1Nd2O4 #139 metal-oxide; Cu1Nd2O4, ICSD #86753 A3B2C6_tI22_139_ae_e_dg-001.{ABC} tI22 I4/mmm - La3Ni2O6 #139 metal-oxide; La3Ni2O6, ICSD #249209 ABC_tI24_139_h_j_i-001.{ABC} tI24 I4/mmm - Ag1Na1O1 #139 metal-oxide; Ag1Na1O1, ICSD #40153 ABC_tI24_139_h_j_i-002.{ABC} tI24 I4/mmm - Ag1K1O1 #139 metal-oxide; Ag1K1O1, ICSD #40154 ABC_tI24_139_h_j_i-003.{ABC} tI24 I4/mmm - Cu1Li1O1 #139 metal-oxide; Cu1Li1O1, ICSD #40156 ABC_tI24_139_h_j_i-004.{ABC} tI24 I4/mmm - Ag1Cs1O1 #139 metal-oxide; Ag1Cs1O1, ICSD #40160 A7B3C2_tI24_139_aeg_be_e-001.{ABC} tI24 I4/mmm - O7Sr3Ti2 #139 metal-oxide; O7Sr3Ti2, ICSD #20294, equivalent to O7Sr3Ti2 (http://aflow.org/prototype-encyclopedia/A7B3C2_tI24_139_aeg_be_e.html, part 3) ABC_tI24_139_h_i_j-001.{ABC} tI24 I4/mmm - Cu1O1Rb1 #139 metal-oxide; Cu1O1Rb1, ICSD #40159 ABC_tI24_139_h_i_j-002.{ABC} tI24 I4/mmm - Au1O1Rb1 #139 metal-oxide; Au1O1Rb1, ICSD #409552 A4B3C8_tI30_139_2e_ae_cdg-001.{ABC} tI30 I4/mmm - Nd4Ni3O8 #139 metal-oxide; Nd4Ni3O8, ICSD #51097 A3BC_tI20_140_ah_b_c-001.{ABC} tI20 I4/mcm - O3Sr1Zr1 #140 metal-oxide; O3Sr1Zr1, ICSD #1522 AB3C_tI20_140_c_ah_b-001.{ABC} tI20 I4/mcm - Hf1O3Sr1 #140 metal-oxide; Hf1O3Sr1, ICSD #164621 ABC2_tI16_141_b_a_e-001.{ABC} tI16 I4_{1}/amd - Gd1Na1O2 #141 metal-oxide; Gd1Na1O2, ICSD #22040 ABC2_tI16_141_a_b_e-002.ABC/BCA/CAB tI16 I4_{1}/amd - Fe2Li2O4 #141 metal-oxide; Fe2Li2O4, ICSD #31149 AB2C2_tI20_141_a_d_e-001.{ABC} tI20 I4_{1}/amd - Ba1Cu2O2 #141 metal-oxide; Ba1Cu2O2, ICSD #9456 AB4C_tI24_141_a_h_b-001.{ABC} tI24 I4_{1}/amd - Cs1O4Re1 #141 metal-oxide; Cs1O4Re1, ICSD #72817 A2B2C3_tI28_141_d_c_ae-001.{ABC} tI28 I4_{1}/amd - Ag2Cu2O3 #141 metal-oxide; Ag2Cu2O3, ICSD #51502 A2B4C_tI28_141_d_h_a-001.{ABC} tI28 I4_{1}/amd - Mn2O4Zn1 #141 metal-oxide; Mn2O4Zn1, ICSD #15305 AB2C4_tI28_141_a_d_h-001.{ABC} tI28 I4_{1}/amd - Cd1Mn2O4 #141 metal-oxide; Cd1Mn2O4, ICSD #24258 A2BC4_tI28_141_d_a_h-001.{ABC} tI28 I4_{1}/amd - Cr2Ni1O4 #141 metal-oxide; Cr2Ni1O4, ICSD #37023 A2BC4_tI28_141_d_a_h-002.{ABC} tI28 I4_{1}/amd - Cr2Fe1O4 #141 metal-oxide; Cr2Fe1O4, ICSD #183968 A2BC4_tI28_141_d_a_h-003.{ABC} tI28 I4_{1}/amd - Cr2Cu1O4 #141 metal-oxide; Cr2Cu1O4, ICSD #246080 ABC2_tI32_141_c_d_h-001.ABC/BCA/CAB tI32 I4_{1}/amd - Li1Mn1O2 #141 metal-oxide; Li1Mn1O2, ICSD #40486 AB2C_tI32_141_d_h_c-001.ABC/BCA/CAB tI32 I4_{1}/amd - Li1O2Ti1 #141 metal-oxide; Li1O2Ti1, ICSD #164158 ABC3_hR5_146_a_a_b-001.{ABC} hR5 R3 - Bi1Fe1O3 #146 metal-oxide; Bi1Fe1O3, ICSD #162264 A3B9C4_hR16_146_3a_3b_4a-001.{ABC} hR16 R3 - Ba3O9Yb4 #146 metal-oxide; Ba3O9Yb4, ICSD #33239 A3B9C4_hR16_146_3a_3b_4a-002.{ABC} hR16 R3 - Ba3O9Y4 #146 metal-oxide; Ba3O9Y4, ICSD #87118 A3B4C9_hR16_146_3a_4a_3b-001.{ABC} hR16 R3 - Ba3Ho4O9 #146 metal-oxide; Ba3Ho4O9, ICSD #33807 AB8C2_hP11_147_a_dg_d-001.{ABC} hP11 P-3 - Mn1O8Re2 #147 metal-oxide; Mn1O8Re2, ICSD #51014 AB8C2_hP11_147_a_dg_d-002.{ABC} hP11 P-3 - Ni1O8Re2 #147 metal-oxide; Ni1O8Re2, ICSD #51016 AB3C_hR10_148_c_f_c-002.ABC/BCA/CAB hR10 R-3 - Cd1O3Ti1 #148 metal-oxide; Cd1O3Ti1, ICSD #15989 AB3C_hR10_148_c_f_c-003.{ABC} hR10 R-3 - Fe1O3Ti1 #148 metal-oxide; Fe1O3Ti1, ICSD #153674 A8B6C_hR15_148_cf_f_a-001.{ABC} hR15 R-3 - Li8O6Sn1 #148 metal-oxide; Li8O6Sn1, ICSD #1180, equivalent to Li7O6Sn1 (partially occupied Li, http://aflow.org/prototype-encyclopedia/A8B6C_hR15_148_cf_f_a.html, part 3) AB2C_hP12_152_b_c_a-001.{ABC} hP12 P3_{1}21 - Ba1O2Zn1 #152 metal-oxide; Ba1O2Zn1, ICSD #25559 AB2C_hP12_152_a_c_b-001.{ABC} hP12 P3_{1}21 - Ba1O2Zn1 #152 metal-oxide; Ba1O2Zn1, ICSD #25812 AB2C_hP12_154_a_c_b-001.{ABC} hP12 P3_{2}21 - Hg1O2Sr1 #154 metal-oxide; Hg1O2Sr1, ICSD #69739 AB3C_hR5_160_a_b_a-001.{ABC} hR5 R3m - Ba1O3Ti1 #160 metal-oxide; Ba1O3Ti1, ICSD #6102 A2B3C2_hR7_160_2a_b_2a-001.{ABC} hR7 R3m - K2O3Sn2 #160 metal-oxide; K2O3Sn2, ICSD #2216 ABC3_hR10_161_a_a_b-002.{ABC} hR10 R3c - Na1Nb1O3 #161 metal-oxide; Na1Nb1O3, ICSD #9645 ABC3_hR10_161_a_a_b-003.{ABC} hR10 R3c - Li1Nb1O3 #161 metal-oxide; Li1Nb1O3, ICSD #28296 ABC3_hR10_161_a_a_b-004.{ABC} hR10 R3c - Ga1La1O3 #161 metal-oxide; Ga1La1O3, ICSD #51036 AB3C_hR10_161_a_b_a-001.{ABC} hR10 R3c - Ni1O3Pb1 #161 metal-oxide; Ni1O3Pb1, ICSD #187684 A2B3C_hR12_161_2a_b_a-001.{ABC} hR12 R3c - Li2O3Re1 #161 metal-oxide; Li2O3Re1, ICSD #200999 A5B6C2_hP13_162_ef_k_d-001.{ABC} hP13 P-31m - Ag5O6Pb2 #162 metal-oxide; Ag5O6Pb2, ICSD #40058 A4B7C2_hP13_162_de_ak_c-001.{ABC} hP13 P-31m - In4O7Rb2 #162 metal-oxide; In4O7Rb2, ICSD #6321 AB3C2_hP6_164_b_e_d-001.{ABC} hP6 P-3m1 - Cs1Cu3O2 #164 metal-oxide; Cs1Cu3O2, ICSD #413342 A2B8C_hP11_164_d_di_a-001.{ABC} hP11 P-3m1 - Mo2O8Zr1 #164 metal-oxide; Mo2O8Zr1, ICSD #59999 A7B4C2_hP13_164_ai_2d_c-001.{ABC} hP13 P-3m1 - O7Tl4V2 #164 metal-oxide; O7Tl4V2, ICSD #72809 A3B8C3_hP14_164_ad_di_bd-001.{ABC} hP14 P-3m1 - K3O8V3 #164 metal-oxide; K3O8V3, ICSD #100782 A4B2C_hP14_164_di_abd_d-001.{ABC} hP14 P-3m1 - O4Tl2W1 #164 metal-oxide; O4Tl2W1, ICSD #8212 ABC2_hR4_166_a_b_c-005.{ABC} hR4 R-3m - Ag1Cr1O2 #166 metal-oxide; Ag1Cr1O2, ICSD #4149 ABC2_hR4_166_a_b_c-006.{ABC} hR4 R-3m - Cu1La1O2 #166 metal-oxide; Cu1La1O2, ICSD #18102 ABC2_hR4_166_a_b_c-007.{ABC} hR4 R-3m - Cu1Eu1O2 #166 metal-oxide; Cu1Eu1O2, ICSD #18106 ABC2_hR4_166_a_b_c-008.{ABC} hR4 R-3m - Cu1In1O2 #166 metal-oxide; Cu1In1O2, ICSD #55687 ABC2_hR4_166_b_a_c-001.{ABC} hR4 R-3m - Al1Cu1O2 #166 metal-oxide; Al1Cu1O2, ICSD #25593 A2BC_hR4_166_c_a_b-001.{ABC} hR4 R-3m - O2Rb1Sc1 #166 metal-oxide; O2Rb1Sc1, ICSD #31959 AB2C_hR4_166_a_c_b-003.{ABC} hR4 R-3m - Hg1O2Sr1 #166 metal-oxide; Hg1O2Sr1, ICSD #165068 ABC2_hR4_166_b_a_c-002.ABC/BCA/CAB hR4 R-3m - Mo1Na1O2 #166 metal-oxide; Mo1Na1O2, ICSD #166514 ABC3_hR5_166_b_a_d-001.{ABC} hR5 R-3m - Bi1Fe1O3 #166 metal-oxide; Bi1Fe1O3, ICSD #20288 A2BC2_hR5_166_c_a_c-001.{ABC} hR5 R-3m - Ag2Ni1O2 #166 metal-oxide; Ag2Ni1O2, ICSD #160574 A2B4C_hR7_166_c_2c_a-001.{ABC} hR7 R-3m - Fe2O4Yb1 #166 metal-oxide; Fe2O4Yb1, ICSD #4192 A2B3C2_hR7_166_ab_d_c-001.{ABC} hR7 R-3m - K2O3Sn2 #166 metal-oxide; K2O3Sn2, ICSD #15511, equivalent to Ni3Pb2S2 (shandite, http://aflow.org/prototype-encyclopedia/A3B2C2_hR7_166_d_ab_c.html, part 3) A2B4C_hR7_166_c_2c_a-002.{ABC} hR7 R-3m - Fe2O4Y1 #166 metal-oxide; Fe2O4Y1, ICSD #67701 A2BC4_hR7_166_c_a_2c-001.{ABC} hR7 R-3m - Fe2In1O4 #166 metal-oxide; Fe2In1O4, ICSD #157323 AB2C_hR8_166_c_ad_c-001.{ABC} hR8 R-3m - Al1O2Tl1 #166 metal-oxide; Al1O2Tl1, ICSD #29010 AB3C2_hR12_166_c_h_ae-001.{ABC} hR12 R-3m - K1O3Pd2 #166 metal-oxide; K1O3Pd2, ICSD #248051 AB4C8_hR13_166_a_bd_ch-001.{ABC} hR13 R-3m - Ba1Ni4O8 #166 metal-oxide; Ba1Ni4O8, ICSD #20898 AB4C8_hR13_166_a_bd_ch-002.{ABC} hR13 R-3m - Ca1Ni4O8 #166 metal-oxide; Ca1Ni4O8, ICSD #40470 A3B2C8_hR13_166_ac_c_ch-001.{ABC} hR13 R-3m - Ba3Cr2O8 #166 metal-oxide; Ba3Cr2O8, ICSD #9457 A2B8C3_hR13_166_c_ch_e-001.{ABC} hR13 R-3m - Ca2O8Pt3 #166 metal-oxide; Ca2O8Pt3, ICSD #65412 A4B8C_hR13_166_bd_ch_a-001.{ABC} hR13 R-3m - Ni4O8Sr1 #166 metal-oxide; Ni4O8Sr1, ICSD #40469 A8B3C2_hR13_166_ch_ac_c-001.{ABC} hR13 R-3m - O8Pb3V2 #166 metal-oxide; O8Pb3V2, ICSD #27651 AB4C2_hR14_166_c_ch_ad-001.{ABC} hR14 R-3m - Al1O4V2 #166 metal-oxide; Al1O4V2, ICSD #151457 AB3C_hR15_166_bc_dh_ac-001.{ABC} hR15 R-3m - Ba1O3Ru1 #166 metal-oxide; Ba1O3Ru1, ICSD #10253 A3BC4_hR16_167_e_a_be-001.{ABC} hR16 R-3c - Ba3Ni1O4 #167 metal-oxide; Ba3Ni1O4, ICSD #30662 AB2C4_hP14_182_b_f_cg-001.{ABC} hP14 P6_{3}22 - Ba1Fe2O4 #182 metal-oxide; Ba1Fe2O4, ICSD #2769 ABC3_hP10_186_b_a_c-001.{ABC} hP10 P6_{3}mc - Ba1Ni1O3 #186 metal-oxide; Ba1Ni1O3, ICSD #15761 AB3C_hP10_186_a_a2b_b-001.{ABC} hP10 P6_{3}mc - La1O3Tl1 #186 metal-oxide; La1O3Tl1, ICSD #200088 AB2C4_hP14_186_b_ab_bc-001.{ABC} hP14 P6_{3}mc - Mn1Na2O4 #186 metal-oxide; Mn1Na2O4, ICSD #39504 AB2C_hP8_187_bc_gh_i-001.{ABC} hP8 P-6m2 - Cs1O2Y1 #187 metal-oxide; Cs1O2Y1, ICSD #49652 ABC3_hP10_187_ad_i_jk-001.{ABC} hP10 P-6m2 - Ba1Co1O3 #187 metal-oxide; Ba1Co1O3, ICSD #88670 A3B4C_hP16_190_af_cg_d-001.{ABC} hP16 P-62c - Be3O4Sr1 #190 metal-oxide; Be3O4Sr1, ICSD #26179 A2B3C_hP6_191_d_f_a-001.{ABC} hP6 P6/mmm - Mn2O3Ta1 #191 metal-oxide; Mn2O3Ta1, ICSD #15995 A2BC_hP8_194_f_c_a-001.{ABC} hP8 P6_{3}/mmc - O2Rb1Sc1 #194 metal-oxide; O2Rb1Sc1, ICSD #1270 ABC2_hP8_194_c_a_f-002.{ABC} hP8 P6_{3}/mmc - Ag1Fe1O2 #194 metal-oxide; Ag1Fe1O2, ICSD #2786, equivalent to hexagonal delafossite (AlCuO2, http://aflow.org/prototype-encyclopedia/ABC2_hP8_194_a_c_f.html, part 3) ABC2_hP8_194_c_a_f-003.{ABC} hP8 P6_{3}/mmc - Cs1Nd1O2 #194 metal-oxide; Cs1Nd1O2, ICSD #27336 ABC2_hP8_194_c_a_f-004.{ABC} hP8 P6_{3}/mmc - Cu1Fe1O2 #194 metal-oxide; Cu1Fe1O2, ICSD #66546 ABC2_hP8_194_a_c_f-002.{ABC} hP8 P6_{3}/mmc - Na1Nb1O2 #194 metal-oxide; Na1Nb1O2, ICSD #29282 ABC2_hP8_194_a_c_f-003.{ABC} hP8 P6_{3}/mmc - Al1Au1O2 #194 metal-oxide; Al1Au1O2, ICSD #95663 AB2C_hP8_194_c_f_a-001.{ABC} hP8 P6_{3}/mmc - Cu1O2Y1 #194 metal-oxide; Cu1O2Y1, ICSD #35580 AB2C_hP8_194_c_f_a-002.{ABC} hP8 P6_{3}/mmc - Cu1O2Sc1 #194 metal-oxide; Cu1O2Sc1, ICSD #60847 AB3C_hP10_194_c_bf_a-001.{ABC} hP10 P6_{3}/mmc - Al1O3Y1 #194 metal-oxide; Al1O3Y1, ICSD #27100 ABC3_hP10_194_c_a_bf-001.{ABC} hP10 P6_{3}/mmc - Ga1In1O3 #194 metal-oxide; Ga1In1O3, ICSD #30339 ABC3_hP10_194_a_c_bf-001.{ABC} hP10 P6_{3}/mmc - In1Mn1O3 #194 metal-oxide; In1Mn1O3, ICSD #67671 AB3C_hP10_194_c_bf_a-002.{ABC} hP10 P6_{3}/mmc - Mn1O3Y1 #194 metal-oxide; Mn1O3Y1, ICSD #73361 ABC2_hP16_194_ac_f_ef-001.{ABC} hP16 P6_{3}/mmc - Ag1Co1O2 #194 metal-oxide; Ag1Co1O2, ICSD #261608 A2B3C2_cI28_199_a_b_a-001.{ABC} cI28 I2_{1}3 - K2O3Pb2 #199 metal-oxide; K2O3Pb2, ICSD #1412 A4B2C7_cF52_216_e_bc_ag-001.{ABC} cF52 F-43m - Al4Cu2O7 #216 metal-oxide; Al4Cu2O7, ICSD #100355 A4B3C_cP16_223_e_c_a.{ABC} cP16 Pm-3n - O4Pd3Sr1 #223 metal-oxide; O4Pd3Sr1, ICSD #16537 ABC3_cF40_225_c_ab_e-001.{ABC} cF40 Fm-3m - Ba2Bi2O6 #225 metal-oxide; Ba2Bi2O6, ICSD #68714 A3B6C_cF40_225_bc_e_a-001.{ABC} cF40 Fm-3m - Eu3O6Ta1 #225 metal-oxide; Eu3O6Ta1, ICSD #4148 A3B6C_cF40_225_bc_e_a-002.{ABC} cF40 Fm-3m - Ba3O6W1 #225 metal-oxide; Ba3O6W1, ICSD #76437 A6BC8_cF60_225_d_a_ce-001.{ABC} cF60 Fm-3m - Mg6Mn1O8 #225 metal-oxide; Mg6Mn1O8, ICSD #24710 A6B8C_cF60_225_d_f_a-001.{ABC} cF60 Fm-3m - Cu6O8Pb1 #225 metal-oxide; Cu6O8Pb1, ICSD #280596 A4B3C_cF64_225_f_d_ab-001.{ABC} cF64 Fm-3m - O4Pd3Tl1 #225 metal-oxide; O4Pd3Tl1, ICSD #2275 AB2C_cF64_227_c_e_d-001.ABC/BCA/CAB cF64 Fd-3m - Li1O2Ti1 #227 metal-oxide; Li1O2Ti1, ICSD #48128 ***************************************************************************************************************************************************** ANRL - metal carbides - BINARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A2B_aP12_2_4i_2i-001.{AB} aP12 P-1 - C2Ca1 #2 metal-carbide; C2Ca1, ICSD #66663 AB4_mP10_11_e_4e-001.{AB} mP10 P2_{1}/m - C1Fe4 #11 metal-carbide; C1Fe4, ICSD #187143 equivalent to 1271.AB,1271.BA [HTQC] A2B_mC12_12_2i_i-003.{AB} mC12 C2/m - C2Ca1 #12 metal-carbide; C2Ca1, ICSD #54185 equivalent to 1244.AB,1244.BA [HTQC] A2B_mC12_12_2i_i-004.{AB} mC12 C2/m - C2Ca1 #12 metal-carbide; C2Ca1, ICSD #54188 equivalent to 1245.AB,1245.BA [HTQC], equivalent to CaC2-III (http://aflow.org/prototype-encyclopedia/A2B_mC12_12_2i_i.html, part 3) A2B_mC12_12_2i_i-005.{AB} mC12 C2/m - C2Ir1 #12 metal-carbide; C2Ir1, ICSD #181488 equivalent to 1246.AB,1246.BA [HTQC] A5B6_mC22_12_agh_ij-001.{AB} mC22 C2/m - C5Nb6 #12 metal-carbide; C5Nb6, ICSD #20695 equivalent to 1279.AB,1279.BA [HTQC] A4B_mP10_14_2e_a-001.{AB} mP10 P2_{1}/c - C4Ir1 #14 metal-carbide; C4Ir1, ICSD #181493 equivalent to 1276.AB,1276.BA [HTQC] A2B_mP12_14_2e_e-010.{AB} mP12 P2_{1}/c - C2Ca1 #14 metal-carbide; C2Ca1, ICSD #24074 equivalent to 1289.AB,1289.BA [HTQC] A2B_mC12_15_f_e-001.{AB} mC12 C2/c - C2Ca1 #15 metal-carbide; C2Ca1, ICSD #54184 equivalent to 1208.AB,1208.BA [HTQC] A3B5_oP16_55_ah_d2g-001.{AB} oP16 Pbam - C3Ir5 #55 metal-carbide; C3Ir5, ICSD #181485 equivalent to 1317.AB,1317.BA [HTQC] A3B2_oP10_58_ag_g-001.{AB} oP10 Pnnm - C3Mg2 #58 metal-carbide; C3Mg2, ICSD #71941 equivalent to 1275.AB,1275.BA [HTQC] AB2_oP12_62_c_2c-002.{AB} oP12 Pnma - C1Nb2 #62 metal-carbide; C1Nb2, ICSD #31973 equivalent to 1285.AB,1285.BA [HTQC] AB2_oP12_62_c_2c-003.{AB} oP12 Pnma - C1Fe2 #62 metal-carbide; C1Fe2, ICSD #187138 equivalent to 1282.AB,1282.BA [HTQC] AB_oP16_62_2c_2c-001.{AB} oP16 Pnma - C2Rb2 #62 metal-carbide; C2Rb2, ICSD #51529 equivalent to 1215.AB,1215.BA,1313.AB,1313.BA [HTQC] A3B_oP16_62_3c_c-001.{AB} oP16 Pnma - C3Ir1 #62 metal-carbide; C3Ir1, ICSD #181492 equivalent to 1316.AB,1316.BA [HTQC] AB3_oP16_62_c_cd-003.{AB} oP16 Pnma - C1Fe3 #62 metal-carbide; C1Fe3, ICSD #167667 equivalent to 1307.AB,1307.BA [HTQC] AB3_oP16_62_c_cd-004.{AB} oP16 Pnma - C1Cr3 #62 metal-carbide; C1Cr3, ICSD #617486 A4B_oC20_68_i_a-001.{AB} oC20 Ccce - C4Ir1 #68 metal-carbide; C4Ir1, ICSD #181496 equivalent to 1277.AB,1277.BA [HTQC] AB_oI8_71_g_e-002.{AB} oI8 Immm - C2Li2 #71 metal-carbide; C2Li2, ICSD #25705 equivalent to 1220.AB,1220.BA [HTQC] AB4_tI10_87_a_h-002.{AB} tI10 I4/m - C1Fe4 #87 metal-carbide; C1Fe4, ICSD #187144 equivalent to 1236.AB,1236.BA [HTQC] A2B_tP3_123_h_a-001.{AB} tP3 P4/mmm - C2Re1 #123 metal-carbide; C2Re1, ICSD #184664 equivalent to 1229.AB,1229.BA [HTQC] A2B_tP6_136_f_a-003.{AB} tP6 P4_{2}/mnm - C2Mg1 #136 metal-carbide; C2Mg1, ICSD #88057 equivalent to 1248.AB,1248.BA [HTQC] A2B_tI12_140_h_a-002.{AB} tI12 I4/mcm - C2Ir1 #140 metal-carbide; C2Ir1, ICSD #181489 equivalent to 1247.AB,1247.BA [HTQC] AB_tI32_142_f_e-001.{AB} tI32 I4_{1}/acd - C2Na2 #142 metal-carbide; C2Na2, ICSD #28066 equivalent to 1315.AB,1315.BA [HTQC] AB_tI32_142_f_e-002.{AB} tI32 I4_{1}/acd - C2K2 #142 metal-carbide; C2K2, ICSD #36142 equivalent to 1314.AB,1314.BA [HTQC] A4B_hP15_152_2ac_b-001.{AB} hP15 P3_{1}21 - C4Ir1 #152 metal-carbide; C4Ir1, ICSD #181495 A4B3_hR7_160_4a_3a-001.{AB} hR7 R3m - Al4C3 #160 metal-carbide; Al4C3, ICSD #14397 equivalent to 1254.AB,1254.BA [HTQC] A5B8_hR13_160_2ab_2a2b-001.{AB} hR13 R3m - C5Ti8 #160 metal-carbide; C5Ti8, ICSD #618924 AB2_hP3_164_a_d-002.{AB} hP3 P-3m1 - C1Sc2 #164 metal-carbide; C1Sc2, ICSD #280743 equivalent to 1227.AB,1227.BA [HTQC] AB2_hR3_166_a_c-002.{AB} hR3 R-3m - C1Y2 #166 metal-carbide; C1Y2, ICSD #22283 equivalent to 1207.AB,1207.BA [HTQC] AB2_hR3_166_a_c-003.{AB} hR3 R-3m - Ba1C2 #166 metal-carbide; Ba1C2, ICSD #186576 equivalent to 1225.AB,1225.BA [HTQC] AB_hR4_166_c_c-004.{AB} hR4 R-3m - C1Ru1 #166 metal-carbide; C1Ru1, ICSD #188285 equivalent to 1233.AB,1233.BA [HTQC] A5B8_hR13_166_abd_ch-001.{AB} hR13 R-3m - C5Ti8 #166 metal-carbide; C5Ti8, ICSD #20822 equivalent to 1294.AB,1294.BA [HTQC] AB_hP4_186_b_b-005.AB hP4 P6_{3}mc - C1Sc1 #186 metal-carbide; C1Sc1, ICSD #189087 equivalent to 1230.AB [HTQC] AB2_hP3_187_a_i-001.{AB} hP3 P-6m2 - C1Mo2 #187 metal-carbide; C1Mo2, ICSD #43669 AB2_hP3_191_a_c-001.{AB} hP3 P6/mmm - C1Fe2 #191 metal-carbide; C1Fe2, ICSD #162103 equivalent to 1241.AB,1241.BA [HTQC] A8B_hP9_191_cl_b-001.{AB} hP9 P6/mmm - C8Cs1 #191 metal-carbide; C8Cs1, ICSD #74641 equivalent to 1270.AB,1270.BA [HTQC] A2B_hP6_194_e_c-002.{AB} hP6 P6_{3}/mmc - C2Os1 #194 metal-carbide; C2Os1, ICSD #168280 equivalent to 1221.AB,1221.BA [HTQC] A2B_hP6_194_f_c-002.{AB} hP6 P6_{3}/mmc - C2Re1 #194 metal-carbide; C2Re1, ICSD #184660 equivalent to 1249.AB,1249.BA [HTQC] A6B_hP14_194_i_c-001.{AB} hP14 P6_{3}/mmc - C6Eu1 #194 metal-carbide; C6Eu1, ICSD #169041 equivalent to 1302.AB,1302.BA [HTQC] A6B_hP14_194_i_c-002.{AB} hP14 P6_{3}/mmc - C6Yb1 #194 metal-carbide; C6Yb1, ICSD #601565 equivalent to 1303.AB,1303.BA [HTQC] AB_cP8_198_a_a-003.{AB} cP8 P2_{1}3 - C1Os1 #198 metal-carbide; C1Os1, ICSD #168277 equivalent to 1266.AB,1266.BA [HTQC] A3B4_cI28_220_a_c-001.{AB} cI28 I-43d - C3Sc4 #220 metal-carbide; C3Sc4, ICSD #42760 equivalent to 1301.AB,1301.BA [HTQC] A2B_cP12_224_e_b-001.{AB} cP12 Pn-3m - C2Ca1 #224 metal-carbide; C2Ca1, ICSD #31092 equivalent to 1290.AB,1290.BA [HTQC] AB_cF64_227_cd_e-001.{AB} cF64 Fd-3m - C1Ti1 #227 metal-carbide; C1Ti1, ICSD #618950 equivalent to 1312.AB,1312.BA [HTQC] ***************************************************************************************************************************************************** ANRL - metal carbides - TERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A2BC_mC16_9_2a_a_a-001.{ABC} mC16 Cc - C2Co1Nd1 #9 metal-carbide; C2Co1Nd1, ICSD #55570 A2BC_mC16_9_2a_a_a-002.{ABC} mC16 Cc - C2Co1Nd1 #9 metal-carbide; C2Co1Nd1, ICSD #67375 A2BC_mC16_9_2a_a_a-003.{ABC} mC16 Cc - C2Co1Pr1 #9 metal-carbide; C2Co1Pr1, ICSD #658525 A3B2C2_mC14_12_ai_i_i-002.{ABC} mC14 C2/m - C3Cr2Ho2 #12 metal-carbide; C3Cr2Ho2, ICSD #62083 A3B2C2_mC14_12_ai_i_i-003.{ABC} mC14 C2/m - C3Ho2Mo2 #12 metal-carbide; C3Ho2Mo2, ICSD #88511 A3B2C2_mC14_12_ai_i_i-004.{ABC} mC14 C2/m - C3Ce2Mo2 #12 metal-carbide; C3Ce2Mo2, ICSD #417827 A3B2C2_mC14_12_ai_i_i-005.{ABC} mC14 C2/m - C3Er2Mo2 #12 metal-carbide; C3Er2Mo2, ICSD #617669 A5B4C3_mC24_12_b2i_2i_ai-001.{ABC} mC24 C2/m - C5Ca4Ni3 #12 metal-carbide; C5Ca4Ni3, ICSD #71440 A4BC3_mC32_12_2j_i_ghi-001.{ABC} mC32 C2/m - C4Co1Sc3 #12 metal-carbide; C4Co1Sc3, ICSD #236391 A4BC3_mC32_12_2j_i_bc2i-001.{ABC} mC32 C2/m - C4Ru1Sc3 #12 metal-carbide; C4Ru1Sc3, ICSD #420074 A5B2C4_oP11_25_c2g_g_adh-001.{ABC} oP11 Pmm2 - C5Ni2Yb4 #25 metal-carbide; C5Ni2Yb4, ICSD #73156 A2BC_oC8_38_d_b_a-001.{ABC} oC8 Amm2 - C2Nd1Rh1 #38 metal-carbide; C2Nd1Rh1, ICSD #63064 A2BC_oP16_57_2d_d_c-001.{ABC} oP16 Pbcm - C2Cs1Na1 #57 metal-carbide; C2Cs1Na1, ICSD #189824 A2BC_oP16_59_2e_ab_e-001.{ABC} oP16 Pmmn - C2Cr1Sc1 #59 metal-carbide; C2Cr1Sc1, ICSD #80372 A2BC_oP16_62_2c_c_c-002.{ABC} oP16 Pnma - C2Dy1Mo1 #62 metal-carbide; C2Dy1Mo1, ICSD #617606 A2BC_oP16_62_d_c_c-002.{ABC} oP16 Pnma - C2Cs1K1 #62 metal-carbide; C2Cs1K1, ICSD #189822 A2BC_oP16_62_d_c_c-003.{ABC} oP16 Pnma - C2Cs1Rb1 #62 metal-carbide; C2Cs1Rb1, ICSD #189823 A2BC_oC16_63_g_c_a-001.{ABC} oC16 Cmcm - C2Gd1Ru1 #63 metal-carbide; C2Gd1Ru1, ICSD #80312 A2B2C_oC20_63_ac_f_c-001.{ABC} oC20 Cmcm - C2Cr2V1 #63 metal-carbide; C2Cr2V1, ICSD #20297 A4BC3_oC16_65_p_a_bi-001.{ABC} oC16 Cmmm - C4Os1Sc3 #65 metal-carbide; C4Os1Sc3, ICSD #420076 A7B2C5_oC28_65_aegj_i_bq-001.{ABC} oC28 Cmmm - C7Re2Sc5 #65 metal-carbide; C7Re2Sc5, ICSD #72382 A4BC3_oI16_71_n_b_af-001.{ABC} oI16 Immm - C4Fe1Sc3 #71 metal-carbide; C4Fe1Sc3, ICSD #72863 A4B2C_oI28_72_2j_j_a-001.{ABC} oI28 Ibam - C4Er2Fe1 #72 metal-carbide; C4Er2Fe1, ICSD #42968 A2BC_tP16_76_2a_a_a-002.{ABC} tP16 P4_{1} - C2Ce1Rh1 #76 metal-carbide; C2Ce1Rh1, ICSD #67327 A2BC_tP4_123_g_a_d-001.{ABC} tP4 P4/mmm - C2Cu1Rb1 #123 metal-carbide; C2Cu1Rb1, ICSD #391118 AB2C_tP4_123_a_g_d-001.{ABC} tP4 P4/mmm - Ag1C2K1 #123 metal-carbide; Ag1C2K1, ICSD #410874 AB2C_tP4_123_a_g_d-002.{ABC} tP4 P4/mmm - Au1C2Na1 #123 metal-carbide; Au1C2Na1, ICSD #411254 AB2C2_tP5_123_b_e_ac-001.{ABC} tP5 P4/mmm - C1Co2Mn2 #123 metal-carbide; C1Co2Mn2, ICSD #44353 A2BC_tP8_129_2c_a_c-001.{ABC} tP8 P4/nmm - C2Co1Sc1 #129 metal-carbide; C2Co1Sc1, ICSD #62598 AB2C_tP8_131_a_j_f-001.{ABC} tP8 P4_{2}/mmc - Ag1C2Cs1 #131 metal-carbide; Ag1C2Cs1, ICSD #410873 A2BC_tP8_131_j_a_f-001.{ABC} tP8 P4_{2}/mmc - C2Cu1K1 #131 metal-carbide; C2Cu1K1, ICSD #412038 A4B5C2_hR11_160_4a_5a_2a-001.{ABC} hR11 R3m - Al4C5Zr2 #160 metal-carbide; Al4C5Zr2, ICSD #173676 A4B6C3_hR13_160_4a_6a_3a-001.{ABC} hR13 R3m - Al4C6Zr3 #160 metal-carbide; Al4C6Zr3, ICSD #173677 A2B2C_hP5_164_c_d_a-001.{ABC} hP5 P-3m1 - C2Na2Pd1 #164 metal-carbide; C2Na2Pd1, ICSD #50172 A2BC2_hP5_164_c_a_d-001.{ABC} hP5 P-3m1 - C2Pd1Rb2 #164 metal-carbide; C2Pd1Rb2, ICSD #94394 A4B5C2_hR11_166_2c_a2c_c-001.{ABC} hR11 R-3m - Al4C5Hf2 #166 metal-carbide; Al4C5Hf2, ICSD #161586 A4B6C3_hR13_166_2c_3c_ac-001.{ABC} hR13 R-3m - Al4C6Hf3 #166 metal-carbide; Al4C6Hf3, ICSD #161585 A3B3C_hP14_186_3b_3b_a-001.{ABC} hP14 P6_{3}mc - Al3C3Sc1 #186 metal-carbide; Al3C3Sc1, ICSD #43477 AB2C_hP4_187_a_g_d-001.{ABC} hP4 P-6m2 - Ag1C2Li1 #187 metal-carbide; Ag1C2Li1, ICSD #410868 ABC2_hP8_194_a_c_f-004.{ABC} hP8 P6_{3}/mmc - C1Pb1Ti2 #194 metal-carbide; C1Pb1Ti2, ICSD #42926 A2BC_hP8_194_f_c_a-002.{ABC} hP8 P6_{3}/mmc - C2Cr1Sc1 #194 metal-carbide; C2Cr1Sc1, ICSD #80373 ABC2_hP8_194_c_a_f-005.{ABC} hP8 P6_{3}/mmc - Al1C1W2 #194 metal-carbide; Al1C1W2, ICSD #165101 ABC2_hP8_194_c_a_f-006.{ABC} hP8 P6_{3}/mmc - Al1C1Ta2 #194 metal-carbide; Al1C1Ta2, ICSD #181247 AB2C3_hP12_194_b_f_af-001.{ABC} hP12 P6_{3}/mmc - Al1C2Ti3 #194 metal-carbide; Al1C2Ti3, ICSD #93503 A2BC3_hP12_194_f_b_af-001.{ABC} hP12 P6_{3}/mmc - C2Sn1Ti3 #194 metal-carbide; C2Sn1Ti3, ICSD #160572 A3B3C_hP14_194_cf_df_a-001.{ABC} hP14 P6_{3}/mmc - Al3C3Sc1 #194 metal-carbide; Al3C3Sc1, ICSD #62308 AB3C4_hP16_194_c_ae_2f-002.{ABC} hP16 P6_{3}/mmc - Al1C3Ta4 #194 metal-carbide; Al1C3Ta4, ICSD #157843 AB3C4_hP16_194_c_ae_2f-003.{ABC} hP16 P6_{3}/mmc - Al1C3Ta4 #194 metal-carbide; Al1C3Ta4, ICSD #159456 ***************************************************************************************************************************************************** ANRL - carbo-nitrides - BINARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- A11B4_oP15_16_acgqtu_u-001.{AB} oP15 P222 - C11N4 #16 carbo-nitride; C11N4, ICSD #184897 AB2_oC12_36_a_2a-001.{AB} oC12 Cmc2_{1} - C1N2 #36 carbo-nitride; C1N2, ICSD #247680 AB_oP16_61_c_c-002.{AB} oP16 Pbca - C2N2 #61 carbo-nitride; C2N2, ICSD #15870 A11B4_tP15_111_abcmn_n-001.{AB} tP15 P-42m - C11N4 #111 carbo-nitride; C11N4, ICSD #184896 AB2_tP6_113_a_e-001.{AB} tP6 P-42_{1}m - C1N2 #113 carbo-nitride; C1N2, ICSD #247676 AB2_tI6_119_a_f-001.{AB} tI6 I-4m2 - C1N2 #119 carbo-nitride; C1N2, ICSD #247678 AB2_tI24_122_d_e-001.{AB} tI24 I-42d - C1N2 #122 carbo-nitride; C1N2, ICSD #247677 A3B4_hR7_160_b_ab-001.{AB} hR7 R3m - C3N4 #160 carbo-nitride; C3N4, ICSD #41952 AB2_hP6_164_c_2d-001.{AB} hP6 P-3m1 - C1N2 #164 carbo-nitride; C1N2, ICSD #247679 A3B4_hP14_176_h_ch-001.{AB} hP14 P6_{3}/m - C3N4 #176 carbo-nitride; C3N4, ICSD #41950, equivalent to beta-Si3N4 (http://aflow.org/prototype-encyclopedia/A4B3_hP14_176_ch_h.html, part 3) A3B4_hP14_187_jk_adjk-001.{AB} hP14 P-6m2 - C3N4 #187 carbo-nitride; C3N4, ICSD #83265 A3B4_cP7_215_c_e-001.{AB} cP7 P-43m - C3N4 #215 carbo-nitride; C3N4, ICSD #41951 equivalent to 707.AB,707.BA,1255.AB,1255.BA [HTQC] A3B4_cI28_220_b_c-001.{AB} cI28 I-43d - C3N4 #220 carbo-nitride; C3N4, ICSD #83263 ***************************************************************************************************************************************************** ANRL - metal carbo-nitrides - TERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes ---------------------------------------------------------------------------------------------------------------------------------------------------- AB2C2_aP15_2_ai_3i_3i-001.{ABC} aP15 P-1 - C1N2Tl2 #2 metal carbo-nitride; C1N2Tl2, ICSD #417297 A4B3C_aP16_2_4i_3i_i-001.{ABC} aP16 P-1 - C4N3Na1 #2 metal carbo-nitride; C4N3Na1, ICSD #31926 A4BC3_aP16_2_4i_i_3i-002.{ABC} aP16 P-1 - C4K1N3 #2 metal carbo-nitride; C4K1N3, ICSD #77046 ABC_mC6_8_a_a_a-001.ABC/CAB/BCA mC6 Cm - C1K1N1 #8 metal carbo-nitride; C1K1N1, ICSD #27350 ABC_mC12_9_a_a_a-001.{ABC} mC12 Cc - C1K1N1 #9 metal carbo-nitride; C1K1N1, ICSD #173942 AB2C2_mC10_12_a_i_i-002.{ABC} mC10 C2/m - C1K2N2 #12 metal carbo-nitride; C1K2N2, ICSD #411094 AB2C2_mC10_12_a_i_i-003.{ABC} mC10 C2/m - C1N2Na2 #12 metal carbo-nitride; C1N2Na2, ICSD #411341 ABC2_mP16_14_e_e_2e-002.{ABC} mP16 P2_{1}/c - C1Hg1N2 #14 metal carbo-nitride; C1Hg1N2, ICSD #412278 AB2C_oP16_33_a_2a_a-001.{ABC} oP16 Pna2_{1} - C1N2Pb1 #33 metal carbo-nitride; C1N2Pb1, ICSD #16600 AB4C3_oI32_46_b_2bc_bc-001.{ABC} oI32 Ima2 - Ag1C4N3 #46 metal carbo-nitride; Ag1C4N3, ICSD #43823 ABC_oP6_59_a_a_b-001.ABC/CAB/BCA oP6 Pmmn - C1N1Na1 #59 metal carbo-nitride; C1N1Na1, ICSD #77172 ABC_oP12_62_c_c_c-016.{ABC} oP12 Pnma - C1Li1N1 #62 metal carbo-nitride; C1Li1N1, ICSD #77321 AB2C_oP16_62_c_2c_c-002.{ABC} oP16 Pnma - C1N2Sr1 #62 metal carbo-nitride; C1N2Sr1, ICSD #75040 AB2C_oP16_62_c_2c_c-003.{ABC} oP16 Pnma - C1N2Pb1 #62 metal carbo-nitride; C1N2Pb1, ICSD #410915 ABC2_oC16_63_c_a_f-001.{ABC} oC16 Cmcm - C1Cu1N2 #63 metal carbo-nitride; C1Cu1N2, ICSD #161460 ABC2_tI16_122_a_b_d-002.{ABC} tI16 I-42d - C1Mg1N2 #122 metal carbo-nitride; C1Mg1N2, ICSD #44110 AB2C_tI32_122_d_e_d-001.{ABC} tI32 I-42d - C1N2Zn1 #122 metal carbo-nitride; C1N2Zn1, ICSD #280523 AB2C2_tI10_139_a_d_e-002.{ABC} tI10 I4/mmm - C1Li2N2 #139 metal carbo-nitride; C1Li2N2, ICSD #200369, equivalent to CLi2N2 (http://aflow.org/prototype-encyclopedia/AB2C2_tI10_139_a_d_e.Li2CN2.html, part 3) A3B2C6_hR11_155_d_c_f-001.{ABC} hR11 R32 - C3Lu2N6 #155 metal carbo-nitride; C3Lu2N6, ICSD #240311 ABC_hR3_160_a_a_a-002.ABC/BAC/CAB hR3 R3m - Ag1C1N1 #160 metal carbo-nitride; Ag1C1N1, ICSD #85783 ABC2_hR4_160_a_a_2a-001.{ABC} hR4 R3m - C1Cd1N2 #160 metal carbo-nitride; C1Cd1N2, ICSD #95265 A6B3C2_hR11_160_6a_3a_2a-001.{ABC} hR11 R3m - Al6C3N2 #160 metal carbo-nitride; Al6C3N2, ICSD #14399 A8B3C4_hR15_160_8a_3a_4a-001.{ABC} hR15 R3m - Al8C3N4 #160 metal carbo-nitride; Al8C3N4, ICSD #14401 ABC2_hR4_166_b_a_c-003.{ABC} hR4 R-3m - C1Ca1N2 #166 metal carbo-nitride; C1Ca1N2, ICSD #25763 ABC2_hR4_166_b_a_c-004.{ABC} hR4 R-3m - C1Ca1N2 #166 metal carbo-nitride; C1Ca1N2, ICSD #31100 ABC2_hR4_166_b_a_c-005.{ABC} hR4 R-3m - C1Mg1N2 #166 metal carbo-nitride; C1Mg1N2, ICSD #75039 A6B3C2_hR11_166_3c_ac_c-001.{ABC} hR11 R-3m - Al6C3N2 #166 metal carbo-nitride; Al6C3N2, ICSD #41260 AB2C_hR4_166_a_c_b-004.{ABC} hR4 R-3m - C1N2Sr1 #166 metal carbo-nitride; C1N2Sr1, ICSD #59860 A8B3C4_hR15_166_4c_ac_2c-001.{ABC} hR15 R-3m - Al8C3N4 #166 metal carbo-nitride; Al8C3N4, ICSD #41261 AB2C_hP8_194_c_f_a-003.{ABC} hP8 P6_{3}/mmc - C1N2Ni1 #194 metal carbo-nitride; C1N2Ni1, ICSD #249388 A2BC2_cP10_215_e_ab_e-001.ABC/CAB/BCA cP10 P-43m - C2Cd1N2 #215 metal carbo-nitride; C2Cd1N2, ICSD #20748 ************************************************************************************************************************************************************* ANRL PROTOTYPES - Part 3 ************************************************************************************************************************************************************* ANRL Label Pearson SG symbol Struk Prototype SG # notes -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- A5B11CD8E_aP26_1_5a_11a_a_8a_a-001.{ABCDE} aP26 P1 - C5H11NaO8S #1 NaC5H11O8S (part 3) A2B2C5_aP18_2_2i_2i_5i-001.{ABC} aP18 P-1 - B2Co2O5 #2 Co2B2O5 (part 3) ABC8D3_aP26_2_i_i_8i_3i-001.{ABCD} aP26 P-1 S6_{8} AlNaO8Si3 #2 Albite (NaAlSi3O8) (part 3) AB3C3_aP28_2_2i_6i_6i-001.{ABC} aP28 P-1 G5_{1} BH3O3 #2 Boric Acid (H3BO3) (part 3) A3B_aP32_2_12i_4i-001.{AB} aP32 P-1 - O3W #2 delta-WO3 (part 3) A3B2C10D3_aP36_2_ah2i_2i_10i_3i-001.{ABCD} aP36 P-1 - Co3H2O10Se3 #2 Co3(SeO3)3.H2O (part 3) AB10C9D_aP42_2_ae_10i_9i_i-001.{ABCD} aP42 P-1 H4_{10} CuH10O9S #2 Chalcanthite (CuSO4.5H2O) (part 3) A2B7C2_aP44_2_4i_14i_4i-001.{ABC} aP44 P-1 - Ho2O7Si2 #2 alpha-Ho2Si2O7 (part 3) A12B2CD12_aP54_2_12i_2i_i_12i-001.{ABCD} aP54 P-1 - H12N2NiO12 #2 Ni(NO3)2(H2O)6 (part 3) A2B2C5D_mP20_4_2a_2a_5a_a-001.{ABCD} mP20 P2_{1} H4_{8} H2Li2O5S #4 Li2SO4.H2O (part 3) A3B6C_mP20_4_3a_6a_a-001.{ABC} mP20 P2_{1} - Ca3O6U #4 Ca3UO6 (part 3) A11B2C2_mP60_4_22a_4a_4a-001.{ABC} mP60 P2_{1} - O11P2W2 #4 W2O3(PO4)2 (part 3) ABC3_mC10_5_b_a_ac-001.{ABC} mC10 C2 - (Ba,Ca)CO3 #5 C2 (Ba,Ca)CO3 (part 3) A2B_mC12_5_2c_c-001.{AB} mC12 C2 - As2Nb #5 NbAs2 (part 3) AB3_mC16_5_c_3c-001.{AB} mC16 C2 D0_{15} AlCl3 #5 D015 (AlCl3) (obsolete) (part 3) AB6C18D4E2_mC62_5_a_2b2c_9c_2c_c-001.{ABCDE} mC62 C2 - CaCu6O18P4Rb2 #5 Rb2CaCu6(PO4)4O2 (part 3) A2B2C9D2_mC90_5_ab2c_3c_b13c_3c-001.{ABCD} mC90 C2 H4_{7} Ca2H2O9S2 #5 Bassanite [CaSO4(H2O)0.5] (part 3) AB2_mP12_7_2a_4a-001.{AB} mP12 Pc - AuTe2 #7 Calaverite (AuTe2) (part 3) A6B2C15D4_mP54_7_6a_2a_15a_4a-001.{ABCD} mP54 Pc - Ca6Na2O15Si4 #7 Na2Ca6Si4O15 (part 3) A8B23_mP124_7_16a_46a-001.{AB} mP124 Pc - Mo8O23 #7 Low-Temperature Mo8O23 (part 3) ABC2_mC8_8_a_a_b-001.{ABC} mC8 Cm F5_{11} KNO2 #8 F511 (KNO2) (obsolete) (part 3) A13B4_mC102_8_17a11b_8a2b-001.{AB} mC102 Cm - Al13Co4 #8 Monoclinic Co4Al13 (part 3) equivalent to 493,494 [HTQC] A3B5C4D2_mC56_9_3a_5a_4a_2a-001.{ABCD} mC56 Cc - Mg3O5(OH)4Si2 #9 Chrysotile (Mg3Si2O5(OH)4) (part 3) A2B4C9D2_mC68_9_2a_4a_9a_2a-001.{ABCD} mC68 Cc S5_{4} Al2H4O9Si2 #9 Nacrite [Al2Si2O5(OH)4] (part 3) A6B36C11_mC212_9_6a_36a_11a-001.{ABC} mC212 Cc - Cs6O36W11 #9 Cs6W11O36 (part 3) ABC_mP6_11_e_e_e-001.{ABC} mP6 P2_{1}/m - HO2Y #11 O(OH)Y (part 3) A3B_mP8_11_3e_e-001.{AB} mP8 P2_{1}/m - Se3Zr #11 ZrSe3 (part 3) A2B5C2_mP18_11_2e_e2f_2e-001.{ABC} mP18 P2_{1}/m K0_{1} K2O5S2 #11 K2S2O5 (part 3) AB2CD6_mP20_11_e_2e_e_2e2f-001.{ABCD} mP20 P2_{1}/m - BaC2CaO6 #11 Barytocalcite (BaCa(CO3)2) (part 3) A7B2C2_mP22_11_3e2f_2e_ab-001.{ABC} mP22 P2_{1}/m - O7Si2Y2 #11 y-Y2Si2O7 (part 3) A2B_mC6_12_i_a-001.{AB} mC6 C2/m - Cl2Cu #12 Tolbachite (CuCl2) (part 3) A3B4_mC14_12_ai_2i-001.{AB} mC14 C2/m D7_{a} Ni3Sn4 #12 delta-Ni3Sn4 (part 3) AB2C_mC16_12_g_2i_i-001.{ABC} mC16 C2/m - FeSe2Tl #12 Monoclinic FeTlSe2 (part 3) AB2_mC18_12_ai_3i-002.{AB} mC18 C2/m - NbTe2 #12 NbTe2 (part 3) AB6C2_mC18_12_a_3i_i-004.{ABC} mC18 C2/m - PdSe6Ta2 #12 Ta2PdSe6 (part 3) ABC3_mC20_12_g_i_ij-001.{ABC} mC20 C2/m - MnPS3 #12 MnPS3 (part 3) A3BC2_mC24_12_ij_h_gi-001.{ABC} mC24 C2/m B36 H3LiO2 #12 LiOH.H2O (part 3) AB_mC24_12_3i_3i-001.{AB} mC24 C2/m - AsSi #12 SiAs (part 3) A13B4_mC34_12_b6i_2i-001.{AB} mC34 C2/m - Al13Os4 #12 Os4Al13 (part 3) AB6C2D_mC40_12_ad_gh4i_j_bc-001.ABCD/DACB/CABD/ mC40 C2/m - NiO6Sr2Te #12 Sr2NiTeO6 (part 3) DCBA/BCAD/DBAC/CDAB/ADBC/BADC/CBDA/ACDB/BDCA A2B12CD6_mC42_12_i_2i2j_a_ij-001.{ABCD} mC42 C2/m J1_{7} Cl2H12MgO6 #12 Bischofite (MgCl2.6H2O) (part 3) AB5_mC48_12_2i_ac5i2j-001.{AB} mC48 C2/m D2_{2} MgZn5 #12 D22 (MgZn5?) (problematic) (part 3) AB8C4_mC52_12_i_gi3j_2j-001.{ABC} mC52 C2/m S6_{7} AlKO8Si3 #12 Sanidine (KAlSi3O8) (part 3) A2B2C5D24E8_mC82_12_h_i_agh_2i5j_2j-001.{ABCDE} mC82 C2/m S4_{2} Ca2H2Mg5O24Si8 #12 Tremolite (Ca2Mg5Si8O22(OH)2) (part 3) A5B2C10D2E2_mC84_12_acghj_bdi_5j_2i_j-001.{ABCDE} mC84 C2/m - Al5Fe2O10(OH)2Si2 #12 Staurolite (Al5Fe2O10(OH)2Si2) (part 3) A13B4_mC102_12_dg8i5j_4ij-001.{AB} mC102 C2/m - Al13Fe4 #12 Al13Fe4 (part 3) A8B2CD15E2_mC112_12_2i3j_j_ad_g4i5j_2i-001.{ABCDE} mC112 C2/m H4_{23} H8K2MnO12S2 #12 Manganese-leonite [K2Mn(SO4)2.4H2O] (part 3) AB6C11D6E4_mC112_12_e_gi2j_i5j_2i2j_2j-001.{ABCDE} mC112 C2/m S4_{5} (H2O)(OH)6O11Mg6Si4 #12 Chrysotile (H4Mg3Si2O9) (part 3) A8B23_mP62_13_4g_c11g-001.{AB} mP62 P2/c - Mo8O23 #13 High-Temperature Mo8O23 (part 3) ABC_mP12_14_e_e_e-002.{ABC} mP12 P2_{1}/c E0_{7} AsFeS #14 Arsenopyrite (FeAsS) (part 3) A2B3C2_mP14_14_e_ae_e-001.{ABC} mP14 P2_{1}/c - Cl2Hg3O2 #14 HgCl2.2HgO (part 3) AB3_mP16_14_e_3e-002.{AB} mP16 P2_{1}/c - beta-B2H6 #14 beta-B2H6 (part 3) ABC2_mP16_14_e_e_2e-003.{ABC} mP16 P2_{1}/c - KNO2 #14 KNO2 III (part 3) ABCD_mP16_14_e_e_e_e-001.{ABCD} mP16 P2_{1}/c - ClCuHO #14 Cu(OH)Cl (part 3) AB_mP16_14_2e_2e-001.{AB} mP16 P2_{1}/c - ClI #14 alpha-ICl (part 3) AB3_mP16_14_e_3e-003.{AB} mP16 P2_{1}/c - B2H6 #14 B2H6 (P21/c) (part 3) ABC2_mP16_14_e_e_2e-004.{ABC} mP16 P2_{1}/c E0_{6} MnHO2 #14 Manganite (gamma-MnO(OH)) (part 3) AB_mP16_14_2e_2e-002.{AB} mP16 P2_{1}/c - AsLi #14 LiAs (part 3) A2B3_mP20_14_2e_3e-002.{AB} mP20 P2_{1}/c D5_{f} As2S3 #14 Orpiment (As2S3) (part 3) A3BC_mP20_14_3e_e_e-001.{ABC} mP20 P2_{1}/c - Cl3CuK #14 Sanguite (KCuCl3) (part 3) AB6C2D_mP20_14_a_3e_e_d-001.ABCD/DACB/CABD/ mP20 P2_{1}/c - MnO6Sr2Te #14 Sr2MnTeO6 (part 3) DCBA/BCAD/DBAC/CDAB/ADBC/BADC/CBDA/ACDB/BDCA AB6C3_mP20_14_a_3e_de-001.{ABC} mP20 P2_{1}/c J2_{6} AlF6Na3 #14 Cryolite (Na3AlF6) (part 3) A2B5C4_mP22_14_e_c2e_2e-001.{ABC} mP22 P2_{1}/c - Cl2O5Sb4 #14 Sb4O5Cl2 (part 3) A4B2C4D_mP22_14_2e_e_2e_a-001.{ABCD} mP22 P2_{1}/c - C4K2N4Ni #14 K2Ni(CN)4 (part 3) A9B2_mP22_14_a4e_e-001.{AB} mP22 P2_{1}/c D8_{d} Co2Al9 #14 Co2Al9 (part 3) A4BC_mP24_14_4e_e_e-001.{ABC} mP24 P2_{1}/c - O7Si2Y2 #14 gamma-Y2Si2O7 (part 3) AB4C_mP24_14_ab_4e_e-001.{ABC} mP24 P2_{1}/c - AuBr4K #14 Anhydrous KAuBr4 (part 3) ABCD3_mP24_14_e_e_e_3e-001.{ABCD} mP24 P2_{1}/c G0_{12} CHNaO3 #14 Nahcolite (NaHCO3) (part 3) AB_mP24_14_3e_3e-001.{AB} mP24 P2_{1}/c - C6Cl6 #14 epsilon-1,2,3,4,5,6-Hexachlorocyclohexane (C6Cl6) (part 3) AB4C_mP24_14_e_4e_e-001.{ABC} mP24 P2_{1}/c K4_{1} (NH4)O4S #14 Ammonium Persulfate [(NH4)2S2O8] (part 3) AB4C_mP24_14_e_4e_e-002.{ABC} mP24 P2_{1}/c - LaO4P #14 Monazite (LaPO4) (part 3) ABC4_mP24_14_e_e_4e-001.{ABC} mP24 P2_{1}/c H0_{9} AgMnO4 #14 AgMnO4 (part 3) A2B4C_mP28_14_abe_4e_e-001.{ABC} mP28 P2_{1}/c - Cu2O4Se #14 Monoclinic Cu2OSeO3 (part 3) A4BCD_mP28_14_4e_e_e_e-001.{ABCD} mP28 P2_{1}/c H0_{10} Cl4IK.H2O #14 KICl4.H2O (part 3) A2B3C2D8_mP30_14_e_ce_e_4e-001.{ABCD} mP30 P2_{1}/c G7_{4} C2Cu3H2O8 #14 Azurite [Cu3(CO3)2(OH)2] (part 3) A2B5C_mP32_14_2e_5e_ab-001.{ABC} mP32 P2_{1}/c - Ca2O5U #14 Ca2UO5 (part 3) A2B5C_mP32_14_2e_5e_e-001.{ABC} mP32 P2_{1}/c - Gd2O5Si #14 Gd2SiO5 (RE2SiO5 X1) (part 3) A3B_mP32_14_6e_2e-001.{AB} mP32 P2_{1}/c - O3W #14 gamma-WO3 (part 3) AB4C2D_mP32_14_e_4e_2e_e-001.{ABCD} mP32 P2_{1}/c H4_{19} AuBr4(H2O)2K #14 KAuBr4.2H2O (part 3) AB_mP32_14_4e_4e-001.{AB} mP32 P2_{1}/c - AsS #14 Pararealgar (AsS) (part 3) AB_mP32_14_4e_4e-002.{AB} mP32 P2_{1}/c B_{l} AsS #14 Realgar (AsS) (part 3) A7B2C_mP40_14_7e_2e_e-001.{ABC} mP40 P2_{1}/c K6_{2} F7K2Nb #14 K2NbF7 (part 3) A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e-001.{ABCDEFG} mP54 P2_{1}/c - C6H4K2N6O2PtS6 #14 K2Pt(SCN)6.2H2O (part 3) A11B3_mP56_14_11e_3e-001.{AB} mP56 P2_{1}/c - Cs11O3 #14 Cs11O3 (part 3) AB3C_mP60_14_3e_9e_3e-001.{ABC} mP60 P2_{1}/c S3_{3} (II) CaO3Si #14 Parawollastonite (CaSiO3) (part 3) AB20C2D14E2_mP78_14_a_10e_e_7e_e-001.{ABCDE} mP78 P2_{1}/c H4_{4} CuH20N2O14S2 #14 Tutton salt [Cu(NH4)2(SO4)2.6H2O] (part 3) A8B2CD12E2_mP100_14_8e_2e_ad_12e_2e-001.{ABCDE} mP100 P2_{1}/c - H8K2MnO12S2 #14 Manganese-leonite 110K [K2Mn(SO4)2.4H2O] (part 3) A_mC4_15_e-001.{A} mC4 C2/c - Ga #15 beta-Ga (obsolete) (part 3) ABC2_mC16_15_e_e_f-004.{ABC} mC16 C2/c F5_{a} FeKS2 #15 KFeS2 (part 3) A2B2C_mC20_15_ad_f_e-001.{ABC} mC20 C2/c - Ag2O2Pb #15 Ag2PbO2 (part 3) A2B_mC24_15_2f_ce-001.{AB} mC24 C2/c - O2Sb #15 Clinocervantite (beta-Sb2O4) (part 3) A2B5_mC28_15_f_e2f-003.{AB} mC28 C2/c - Nb2O5 #15 zeta-Nb2O5 (B-Nb2O5) (part 3) AB5C2_mC32_15_e_e2f_f-001.{ABC} mC32 C2/c - NiSe5Ta2 #15 Ta2NiSe5 (part 3) AB5CD_mC32_15_e_e2f_e_b-001.{ABCD} mC32 C2/c S0_{6} CaO5SiTi #15 Titanite (CaTiSiO5) (part 3) A2BC4D2_mC36_15_f_e_2f_f-001.{ABCD} mC36 C2/c - C2(H2O)O4Rb2 #15 Rb2C2O4.H2O (part 3) A7B2C2_mC44_15_e3f_f_f-001.{ABC} mC44 C2/c - O7V2Zn2 #15 alpha-Zn2V2O7 (part 3) AB4C6D_mC48_15_e_2f_3f_e-001.{ABCD} mC48 C2/c H4_{6} CaH4O6S #15 Gypsum (CaSO4.2H2O) (part 3) AB4C4D4E_mC56_15_e_2f_2f_2f_a-001.{ABCDE} mC56 C2/c H4_{22} BaC4(H2O)4N4Ni #15 BaNi(CN)4.4H2O (part 3) A5BC2_mC64_15_5f_f_2f-001.{ABC} mC64 C2/c - O5SiY2 #15 Y2SiO5 (RE2SiO5 X2) (part 3) AB5CD2_mC72_15_f_5f_f_2f-001.{ABCD} mC72 C2/c S5_{6} AlO5(OH)Si2 #15 Pyrophyllite [AlSi2O5(OH)] (part 3) A2BC10D2E4_mC76_15_f_e_5f_f_2f-001.{ABCDE} mC76 C2/c S5_{1} Al3KO10(OH)2Si3 #15 Muscovite (KH2Al3Si3O12) (part 3) A2BCD12E3_mC76_15_f_e_b_6f_ef-001.{ABCDE} mC76 C2/c - Fe2MnNaO12P3 #15 Alluaudite [NaMnFe2(PO4)3] (part 3) A3B5C4D2_mC112_15_a3ef_5f_4f_2f-001.{ABCD} mC112 C2/c S5_{5} Mg3O5(OH)4Si2 #15 Chlorite [Mg3(Mg2Al)(Si3Al)O10(OH)8] (part 3) A2B4C2D17E6_mC124_15_f_2f_f_e8f_3f-001.{ABCDE} mC124 C2/c - BeHNaO8Si3 #15 Eudidymite (BeHNaO8Si3) (part 3) A2B3C9D3E_mC144_15_2f_bcdef_9f_3f_ae-001.{ABCDE} mC144 C2/c - (H2O)2Na2O9Si3Zr #15 Catapleiite (Na2ZrSi3O9.2H2O) (part 3) A3B16C20D3_mC168_15_ef_8f_10f_ef-001.{ABCD} mC168 C2/c H4_{20} Cd3H16O20S3 #15 (CdSO4)3.8H2O (part 3) A8B2CD12E2_mC200_15_8f_2f_ce_2e11f_2f-001.{ABCDE} mC200 C2/c - H8K2MnO12S2 #15 Manganese-leonite 185K [K2Mn(SO4)2.4H2O] (part 3) ABC3_oP40_17_abcd_2e_abcd4e-001.{ABC} oP40 P222_{1} - NaNbO3 #17 NaNbO3 (part 3) A2B_oP12_18_2c_c-001.{AB} oP12 P2_{1}2_{1}2 - O2Te #18 gamma-TeO2 (part 3) AB12C5D2_oP40_18_a_6c_b2c_c-001.{ABCD} oP40 P2_{1}2_{1}2 - ClH12N5Zn2 #18 Diamminetriamidodizinc Chloride ([Zn2(NH3)2(NH2)3]Cl) (part 3) AB_oP16_19_2a_2a-001.{AB} oP16 P2_{1}2_{1}2_{1} - NaP #19 NaP (part 3) A2B2C_oP20_19_2a_2a_a-001.{ABC} oP20 P2_{1}2_{1}2_{1} C31 H2O2Zn #19 W"ulfingite (epsilon-Zn(OH)2) (part 3) AB4C_oP24_19_a_4a_a-001.{ABC} oP24 P2_{1}2_{1}2_{1} - AlCl4Na #19 NaAlCl4 (part 3) A6BC4D_oP48_19_6a_a_4a_a-001.{ABCD} oP48 P2_{1}2_{1}2_{1} - H6NO4P #19 Ferroelectric NH4H2PO4 (part 3) AB2C_oP80_19_5a_10a_5a-001.{ABC} oP80 P2_{1}2_{1}2_{1} - CH2O #19 beta-Arabinose [(CH2O)20] (part 3) A14BC11D_oP108_19_14a_a_11a_a-001.{ABCD} oP108 P2_{1}2_{1}2_{1} H4_{12} H14NiO11S #19 Morenosite (NiSO4.7H2O) (part 3) AB3_oC16_20_a_bc-001.{AB} oC16 C222_{1} D0_{7} CrO3 #20 D07 (CrO3) (obsolete) (part 3) AB4C_oC24_20_b_2c_a-001.ABC/CAB/BCA oC24 C222_{1} - AlO4P #20 AlPO4 ``low cristobalite type'' (part 3) AB5C2_oC32_20_b_a2bc_c-001.{ABC} oC32 C222_{1} K3_{3} AlF5Tl2 #20 Tl2AlF5 (part 3) AB2_oC6_21_a_k-002.{AB} oC6 C222 - HoSb2 #21 HoSb2 (part 3) A2B7C2_oF88_22_k_bdefghij_k-001.{ABC} oF88 F222 - Cd2O7Re2 #22 Predicted Phase IV Cd2Re2O7 (part 3) AB6_oP28_29_a_6a-001.{AB} oP28 Pca2_{1} - HgN6 #29 Mercury (II) Azide [Hg(N3)2] (part 3) ABC30DE20F2_oP220_29_a_a_30a_a_20a_2a-001.{ABCDEF} oP220 Pca2_{1} - AlCH30NO20S2 #29 Low-Temperature (NH3CH3)Al(SO4)2.12H2O (part 3) A4B7C_oP24_31_2b_a3b_a-001.{ABC} oP24 Pmn2_{1} - B4O7Sr #31 B4SrO7 (part 3) A2B6CD8_oP34_31_2a_2a2b_a_4a2b-001.{ABCD} oP34 Pmn2_{1} H4_{11} Cl2(H2O)6MgO8 #31 Mg(ClO4)2.6H2O (part 3) A13B4_oP102_31_17a11b_8a2b-001.{AB} oP102 Pmn2_{1} - Al13Co4 #31 Orthorhombic Co4Al13 (part 3) equivalent to 491,492 [HTQC] A17B47_oP128_32_a8c_a23c-001.{AB} oP128 Pba2 - Mo17O47 #32 Mo17O47 (part 3) ABC3_oP20_33_a_a_3a-001.{ABC} oP20 Pna2_{1} - ILiO3 #33 gamma-LiIO3 (part 3) A2B7C2_oP44_33_2a_7a_2a-001.{ABC} oP44 Pna2_{1} - Gd2O7Si2 #33 Possible delta-Gd2Si2O7 (part 3) A4BCD6_oP48_33_4a_a_a_6a-001.{ABCD} oP48 Pna2_{1} - B4CsFO6 #33 CsB4O6F (part 3) A2BC4_oP84_33_6a_3a_12a-001.{ABC} oP84 Pna2_{1} - B2CaO4 #33 CaB2O4 (III) (part 3) A2BC2_oP10_34_c_a_c-001.{ABC} oP10 Pnn2 - F2-xHxMnOx #34 MnF2-x(OH)x (part 3) AB2_oC12_36_a_2a-002.{AB} oC12 Cmc2_{1} - MoP2 #36 MoP2 (part 3) A2BC2_oC20_36_b_a_b-001.{ABC} oC20 Cmc2_{1} - N2OSi2 #36 Si2N2O (part 3) A2BC5_oC32_36_b_a_a2b-001.{ABC} oC32 Cmc2_{1} - Bi2GeO5 #36 Bi2GeO5 (part 3) A4B7C2D2_oC60_36_2b_a3b_2a_b-001.{ABCD} oC60 Cmc2_{1} S4_{6} Be4O7(OH)2Si2 #36 Bertrandite (Be4Si2O7(OH)2) (part 3) A3B2_oC80_36_4a4b_2a3b-001.{AB} oC80 Cmc2_{1} - Ni3Si2 #36 Ni3Si2 (part 3) ABC3_oC80_36_2ab_2ab_2a5b-001.{ABC} oC80 Cmc2_{1} - KNO3 #36 alpha-Potassium Nitrate (KNO3) II (part 3) ABC6D15_oC46_38_b_b_2a2d_2ab4d2e-001.{ABCD} oC46 Amm2 - FNaNb6O15 #38 NaNb6O15F (part 3) AB3_oC16_40_b_a2b-002.{AB} oC16 Ama2 - CrO3 #40 Orthorhombic CrO3 (part 3) A2B7C2_oC88_40_abc_2b6c_a3b-001.{ABC} oC88 Ama2 - Mo2O7Rb2 #40 Rb2Mo2O7 (part 3) A5B8CD12_oC104_41_a2b_4b_a_6b-001.{ABCD} oC104 Aea2 K3_{5} B5H8KO12 #41 Santite (KB5O8.4H2O) (part 3) A2B_oF24_43_b_a-001.{AB} oF24 Fdd2 - Cs2Se #43 Cs2Se (part 3) A3B2_oF40_43_ab_b-001.{AB} oF40 Fdd2 - Al3Zr2 #43 Zr2Al3 (part 3) equivalent to 365,366 [HTQC] A2BC4D_oF64_43_b_a_2b_a-001.{ABCD} oF64 Fdd2 - H2KO4P #43 Archerite (KH2PO4) (part 3) A2B7C2_oF88_43_b_a3b_b-001.{ABC} oF88 Fdd2 - Cu2O7V2 #43 Blossite (alpha-Cu2V2O7) (part 3) A2B4C2D12E3_oF184_43_b_2b_b_6b_ab-001.{ABCDE} oF184 Fdd2 S6_{10} Al2H4Na2O12Si3 #43 Natrolite (Na2Al2Si3O10.2H2O) (part 3) ABC2_oI8_44_a_a_c-001.{ABC} oI8 Imm2 F5_{5} NaNO2 #44 Ferroelectric NaNO2 (part 3) ABC2_oI8_44_a_a_d-001.{ABC} oI8 Imm2 F5_{12} AgNO2 #44 AgNO2 (part 3) A2B5CD2_oI40_44_2c_abcde_d_e-001.{ABCD} oI40 Imm2 S2_{2} H2O5SiZn2 #44 Hemimorphite (Zn4Si2O7(OH)2.H2O) (part 3) AB_oI48_44_6d_ab2cde-001.{AB} oI48 Imm2 B30 MgZn #44 B30 (MgZn?) (part 3) A2B17C6_oI100_46_ab_b8c_3c-001.{ABC} oI100 Ima2 - Nb2O17Zr6 #46 Nb2Zr6O17 (part 3) AB2C_oP8_51_e_be_f-001.{ABC} oP8 Pmma - Bi2Ni3S2 #51 Parkerite (Ni3Bi2S2) (part 3) ABC6D15_oP46_51_f_d_2e2i_aef4i2j-001.{ABCD} oP46 Pmma - FLiNb6O15 #51 LiNb6O15F (part 3) A3B12CDE6_oP276_52_d4e_18e_ce_de_2d8e-001.{ABCDE} oP276 Pnna - Cl3H12KMgO6 #52 Carnallite [Mg(H2O)6KCl3] (part 3) A2BC_oP16_53_eh_ab_g-001.{ABC} oP16 Pmna F5_{8} F2H5N #53 NH4HF2 (part 3) A2BC4D2_oP18_53_h_a_i_e-001.{ABCD} oP18 Pmna C45 Cl2CuH4O2 #53 Eriochalcite (CuCl2.2H2O) (part 3) A2B3C8_oP26_55_h_ag_2g2h-001.{ABC} oP26 Pbam - Nb2Pd3Se8 #55 Nb2Pd3Se8 (part 3) A4BCD2_oP32_55_ghi_f_e_gh-001.{ABCD} oP32 Pbam E3_{4} Cl4(H2O)HgK2 #55 K2HgCl4.H2O (part 3) AB2C5_oP32_55_g_fh_eghi-001.{ABC} oP32 Pbam - HoMn2O5 #55 HoMn2O5 (part 3) A8B11_oP38_55_g3h_a3g2h-001.{AB} oP38 Pbam - B8Ru11 #55 Ru11B8 (part 3) equivalent to 1086.AB,1086.BA [HTQC] A10B3C4_oP68_55_2e2fgh2i_adef_2e2f-001.{ABC} oP68 Pbam - O10Ru3Sr4 #55 Orthorhombic Sr4Ru3O10 (part 3) A2BC4_oP56_56_2e_e_4e-001.{ABC} oP56 Pccn - B2CaO4 #56 Calciborite (CaB2O4 II) (part 3) A3B_oP16_57_a2d_d-001.{AB} oP16 Pbcm D0_{10} O3W #57 D010 (WO3) (em obsolete) (part 3) A4BC_oP24_57_cde_d_a-001.{ABC} oP24 Pbcm - O4SrU #57 SrUO4 (part 3) ABC3_oP40_57_cd_e_cd2e-001.{ABC} oP40 Pbcm - NaNbO3 #57 Lueshite (NaNbO3) (part 3) AB_oP8_58_g_g-001.{AB} oP8 Pnnm - InS #58 InS (part 3) A2B3C6_oP22_58_g_af_gh-001.{ABC} oP22 Pnnm - B2Mg3O6 #58 Kotoite (Mg3(BO3)2) (part 3) A4B3_oP28_58_4g_3g-001.{AB} oP28 Pnnm - In4Se3 #58 In4Se3 (part 3) ABC5D2_oP36_58_g_g_3gh_eg-001.{ABCD} oP36 Pnnm H2_{7} AsHO5Zn2 #58 Adamite [Zn2(AsO4)(OH)] (part 3) A2B7C24D8_oP82_58_g_ae2f_2g5h_2h-001.{ABCD} oP82 Pnnm - H2Mg7O24Si8 #58 Protoanthophyllite (H2Mg7Si8O24) (part 3) A4B2C3_oP18_59_ef_ab_af-001.{ABC} oP18 Pmmn G0_{11} H4N2O3 #59 NH4NO3 IV (part 3) A2BC4_oP28_60_d_c_2d-001.{ABC} oP28 Pbcn E3_{2} B2CaO4 #60 CaB2O4 I (part 3) AB2C6_oP36_60_c_d_3d-001.{ABC} oP36 Pbcn E5_{1} FeNb2O6 #60 Columbite (FeNb2O6) (part 3) A5B12_oP68_60_c2d_6d-001.{AB} oP68 Pbcn - Cr5O12 #60 Cr5O12 (part 3) A2B_oP24_61_2c_c-002.{AB} oP24 Pbca C52 O2Te #61 Tellurite (beta-TeO2) (part 3) ABC_oP24_61_c_c_c-001.{ABC} oP24 Pbca - CClO #61 COCl (part 3) A2B4C_oP28_61_c_2c_a-001.{ABC} oP28 Pbca - Ca2O4Ru #61 Ca2RuO4 (part 3) AB2CD4_oP64_61_c_2c_c_4c-001.{ABCD} oP64 Pbca G7_{2} BBe2HO4 #61 Hambergite [Be2BO3(OH)] (part 3) A7BCD_oP80_61_7c_c_c_c-001.{ABCD} oP80 Pbca - Cl7OPTi #61 (TiCl4.POCl3)2 (part 3) AB3C_oP80_61_2c_6c_2c-001.{ABC} oP80 Pbca S4_{3} MgO3Si #61 Enstatite (MgSiO3) (part 3) A2B_oP12_62_2c_c-010.{AB} oP12 Pnma C53 Br2Sr #62 C53 (SrBr2) (obsolete) (part 3) A3B_oP16_62_3c_c-002.{AB} oP16 Pnma D0_{16} I3(NH4) #62 NH4I3 (part 3) ABC2_oP16_62_c_c_2c-002.{ABC} oP16 Pnma E0_{2} AlHO2 #62 Diaspore (AlOOH) (part 3) ABCD_oP16_62_c_c_c_c-001.{ABCD} oP16 Pnma F5_{14} ClBrI(NH4) #62 NH4ClBrI (part 3) AB3C_oP20_62_c_3c_c-001.{ABC} oP20 Pnma E2_{4} CdCl3(NH4) #62 NH4CdCl3 (part 3) ABC3_oP20_62_c_c_cd-001.{ABC} oP20 Pnma - KNO3 #62 alpha-Potassium Nitrate (KNO3) I (part 3) ABC3_oP20_62_c_c_cd-002.{ABC} oP20 Pnma G0_{10} N(NH4)O3 #62 NH4NO3 III (part 3) ABC3_oP20_62_c_c_cd-003.{ABC} oP20 Pnma G0_{2} CaCO3 #62 Aragonite (CaCO3) (part 3) A2B_oP24_62_4c_2c-001.{AB} oP24 Pnma - Cs2Sb #62 Cs2Sb (part 3) AB4C_oP24_62_a_2cd_c-001.{ABC} oP24 Pnma - CuO4S #62 Chalcocyanite (CuSO4) (part 3) A2B4C_oP28_62_2c_2cd_c-001.{ABC} oP28 Pnma H1_{6} K2O4S #62 Arcanite (K2SO4) (part 3) A5BC_oP28_62_3cd_c_c-001.{ABC} oP28 Pnma - O5SV #62 VOSO4 (part 3) AB4C2_oP28_62_c_4c_2c-001.{ABC} oP28 Pnma E3_{3} FeS4Sb2 #62 Berthierite (FeSb2S4) (part 3) AB6_oP28_62_c_6c-001.{AB} oP28 Pnma - CuN6 #62 Copper (II) Azide [Cu(N3)2] (part 3) A2B5C_oP32_62_bc_3cd_c-001.{ABC} oP32 Pnma S0_{3} Al2O5Si #62 Sillimanite (Al2SiO5) (part 3) A3B_oP32_62_ab4c_2c-001.{AB} oP32 Pnma - O3W #62 Original beta-WO3 (em obsolete) (part 3) A4BC2D_oP32_62_2cd_b_2c_a-001.{ABCD} oP32 Pnma E3_{5} Cl4(H2O)K2Sn #62 K2SnCl4.H2O (part 3) A4BC2D_oP32_62_2cd_c_d_c-001.{ABCD} oP32 Pnma - Cl4(H2O)K2Sn #62 K2SnCl4.H2O (part 3) A2B2C4D_oP36_62_d_d_2cd_c-001.{ABCD} oP36 Pnma S0_{5} Al2F2O4Si #62 Topaz (Al2SiO4F2, S05) (part 3) AB2C3D3_oP36_62_c_ac_cd_cd-001.{ABCD} oP36 Pnma - ClCu2H3O3 #62 Atacamite (Cu2(OH)3Cl) (part 3) AB6C2_oP36_62_c_2c2d_d-001.{ABC} oP36 Pnma - CaO6Ta2 #62 Rynersonite (Orthorhombic CaTa2O6) (part 3) A2B3C4D_oP40_62_d_cd_2cd_c-001.{ABCD} oP40 Pnma S0_{7} F2Mg3O4Si #62 Norbergite [Mg(F,OH)2.Mg2SiO4] (part 3) A2B6C3_oP44_62_2c_2c2d_3c-001.{ABC} oP44 Pnma K5_{1} K2O6S3 #62 K2S3O6 (part 3) A7B2C2_oP44_62_3c2d_2c_d-001.{ABC} oP44 Pnma - O7Si2Y2 #62 Possible delta-Y2Si2O7 (part 3) A8BCD_oP44_62_4c2d_c_c_c-001.{ABCD} oP44 Pnma - Cl8OPSb #62 SbCl5.POCl3 (part 3) A2BC8D2_oP52_62_d_c_2c3d_d-001.{ABCD} oP52 Pnma S6_{3} B2CaO8Si2 #62 Danburite (CaB2Si2O8) (part 3) A4B3_oP56_62_8c_6c-001.{AB} oP56 Pnma - Mo4P3 #62 Mo4P3 (part 3) A3B15C5D_oP96_62_cd_3c6d_3cd_c-001.{ABCD} oP96 Pnma J1_{8} Cl3H15N5Rh #62 RhCl2(NH3)5Cl (part 3) A8B4C4DE8F2_oP108_62_4c2d_2d_2cd_c_4c2d_d-001.{ABCDEF} oP108 Pnma F2_{1} C8H4K4MoN8O2 #62 K4[Mo(CN)8].2H2O (part 3) A4B3_oP112_62_8c4d_4c4d-001.{AB} oP112 Pnma - P4Se3 #62 P4Se3 (part 3) ABCD8E3_oP112_62_d_2c_d_4c6d_3d-001.{ABCDE} oP112 Pnma S4_{7} BeHNaO8Si3 #62 Epididymite (BeHNaO8Si3) (part 3) A2B5C22D2E8_oP156_62_d_c2d_2c10d_2c_4d-001.{ABCDE} oP156 Pnma S4_{4} Fe2Mg5O22(OH)2Si8 #62 Anthophyllite (Mg5Fe2Si8O22(OH)2) (part 3) AB22C23D2E2_oP200_62_c_11d_3c10d_d_d-001.{ABCDE} oP200 Pnma - CaH22O23P2U2 #62 Autunite Ca[(UO2)(PO4)]2(H2O)11 (part 3) AB3_oC16_63_c_3c-001.{AB} oC16 Cmcm D0_{d} AsMn3 #63 Mn3As (part 3) AB2C2_oC20_63_c_f_2c-001.{ABC} oC20 Cmcm E0_{4} FeHO2 #63 Lepidocrocite (gamma-FeO(OH)) (part 3) AB2CD_oC20_63_b_f_c_c-001.{ABCD} oC20 Cmcm - CFe2SiTh #63 ThFe2SiC (part 3) A5B_oC24_63_c2f_c-001.{AB} oC24 Cmcm - Te5Zr #63 ZrTe5 (part 3) A_oC24_63_3f-001.{A} oC24 Cmcm - Si24 #63 Si24 Clathrate (part 3) A5B3_oC32_63_cfg_ce-001.{AB} oC32 Cmcm - Pd5Pu3 #63 Pd5Pu3 (part 3) equivalent to 661.AB,661.BA [HTQC] AB5C2_oC32_63_c_c2f_f-004.{ABC} oC32 Cmcm - NiS5Ta2 #63 Ta2NiS5 (part 3) A2B2C6DE2_oC52_63_g_e_fh_c_f-001.{ABCDE} oC52 Cmcm - Br2Cu2O6PbSe2 #63 Cu2Pb(SeO3)2Br2 (part 3) A4BC12D2_oC76_63_eg_c_f3gh_g-001.{ABCD} oC76 Cmcm S0_{4} Al4FeO12Si2 #63 S04 (Staurolite, Fe(OH)2Al4Si2O10) (obsolete) (part 3) A10B3C4_oC68_64_2dfg_ad_2d-001.{ABC} oC68 Cmce - O10Ru3Sr4 #64 Base-centered orthorhombic Sr4Ru3O10 (part 3) A2B2C7_oC88_64_ef_df_3f2g-001.{ABC} oC88 Cmce - Mo2Na2O7 #64 Na2Mo2O7 (part 3) A3B8_oC22_65_ag_bd2gh-001.{AB} oC22 Cmmm - FNb3O7 #65 Nb3O7F (part 3) A2B8CD2_oC26_65_h_r_a_i-001.{ABCD} oC26 Cmmm E1_{3} Cl2H6MgN2 #65 Mg(NH3)2Cl2 (part 3) A2BC2D_oC24_67_m_a_n_g-001.{ABCD} oC24 Cmme F5_{7} H2(NH4)O2P #67 NH4H2PO2 (part 3) A2B4C_oF56_70_g_h_a-001.{ABC} oF56 Fddd H1_{7} Na2O4S #70 Thenardite [Na2SO4 (V)] (part 3) ABC2_oI16_71_g_i_eh-001.{ABC} oI16 Immm - CsFeS2 #71 CsFeS2 (100K) (part 3) AB6C3_oI20_71_a_in_cj-001.{ABC} oI20 Immm - AlF6Na3 #71 High-Temperature Cryolite (Na3AlF6) (part 3) A2B5_oI28_72_j_bfj-001.{AB} oI28 Ibam D8_{g} Ga2Mg5 #72 Ga2Mg5 (part 3) ABC4D_oI28_74_a_d_hi_e-001.{ABCD} oI28 Imma - CuLiO4V #74 LiCuVO4 (part 3) A2B6C2D_oI44_74_h_ij_i_e-001.{ABCD} oI44 Imma E1_{2} Cl2H6N2Zn #74 Zn(NH3)2Cl2 (part 3) A4B2C3_tP72_77_8d_ab2c2d_6d-001.{ABC} tP72 P4_{2} - H4N2O3 #77 Gwihabaite [NH4NO3 (V)] (part 3) AB5C_tP14_85_c_cg_b-001.{ABC} tP14 P4/n - MoO5P #85 MoPO5 (part 3) A3B6CD_tP44_85_bcg_3g_ac_e-001.{ABCD} tP44 P4/n E2_{6} (Br,Cl)3(H2O)6KMg #85 Bromocarnallite (KMg(H2O)6(Cl,Br)3) (part 3) A2BC_tP32_86_2g_g_g-001.{ABC} tP32 P4_{2}/n E1_{4} Cl2NP #86 PNCl2 (part 3) AB6C_tP32_86_d_3g_c-001.{ABC} tP32 P4_{2}/n J1_{11} Na(OH)6Sb #86 NaSb(OH)6 (part 3) ABC3_tP40_86_g_g_3g-001.{ABC} tP40 P4_{2}/n - ILiO3 #86 beta-LiIO3 (part 3) A4B11C2_tP68_86_2g_ab5g_g-001.{ABC} tP68 P4_{2}/n - Nd4O11Re2 #86 Nd4Re2O11 (part 3) AB6C2D_tI20_87_a_eh_d_b-001.ABCD/DACB/CABD/ tI20 I4/m - NiO6Sr2W #87 Sr2NiWO6 (part 3) DCBA/BCAD/DBAC/CDAB/ADBC/BADC/CBDA/ACDB/BDCA AB4C24D12_tI82_87_a_h_2h2i_hi-001.{ABCD} tI82 I4/m S6_{4} ClNa4O24(Al3Si9) #87 Marialite Scapolite [Na4Cl(AlSi3)3O24] (part 3) A9B4C20_tI132_88_a2f_f_5f-001.{ABC} tI132 I4_{1}/a - Ge9Na4O20 #88 Na4Ge9O20 (part 3) AB2C3D2_tP16_90_c_f_ce_e-001.{ABCD} tP16 P42_{1}2 G7_{5} CCl2O3Pb2 #90 G75 (PbCO3.PbCl2, Phosgenite) (obsolete) (part 3) A12BC10D_tP96_92_6b_a_5b_a-001.{ABCD} tP96 P4_{1}2_{1}2 H4_{5} H12NiO10S #92 Retgersite (alpha-NiSO4.6H2O) (part 3) A2B7C2_tI44_98_f_bcde_f-001.{ABC} tI44 I4_{1}22 - Cd2O7Re2 #98 Phase III Cd2Re2O7 (part 3) ABC2_tP8_100_b_a_c-001.{ABC} tP8 P4bm F5_{4} Cl(NH4)O2 #100 F54 (NH4ClO2) (obsolete) (part 3) ABC3_tP10_100_b_a_bc-001.{ABC} tP10 P4bm G0_{9} N(NH4)O3 #100 NH4NO3 II (part 3) A6B2C_tP72_103_abc5d_2d_abc-001.{ABC} tP72 P4cc - O6Se2V #103 VSe2O6 (part 3) A2BC4_tP7_111_f_a_n-001.{ABC} tP7 P-42m E3_{1} Ag2HgI4 #111 E31 (beta-Ag2HgI4) (obsolete) (part 3) AB4CD2_tP16_113_c_f_a_e-001.{ABCD} tP16 P-42_{1}m - ClH4NO2 #113 Ammonium Chlorite (NH4ClO2) (part 3) A2B12C4D4E_tP46_114_d_3e_e_e_a-001.{ABCDE} tP46 P-42_{1}c H4_{17} Ag2H12N4O4S #114 Ag2SO4.4NH3 (part 3) A19B15_tP68_114_bc4e_ac3e-001.{AB} tP68 P-42_{1}c - C19Sc15 #114 C19Sc15 (part 3) equivalent to 1217.AB,1217.BA,1346.AB,1346.BA [HTQC] ABC2_tP4_115_a_c_g-001.{ABC} tP4 P-4m2 F6_{1} CuFeS2 #115 F61 (Chalcopyrite, CuFeS2) (obsolete) (part 3) AB2C_tI8_119_c_e_a-001.{ABC} tI8 I-4m2 - FeS2Tl #119 Tetragonal TlFeS2 (part 3) A2B7C2_tI44_119_i_bdefgh_i-001.{ABC} tI44 I-4m2 - Cd2O7Re2 #119 Phase II Cd2Re2O7 (part 3) AB8C8D_tI72_120_c_2i_2i_b-001.{ABCD} tI72 I-4c2 H4_{3} BeH8O8S #120 BeSO4.4H2O (part 3) AB3_tI32_121_g_f2i-001.{AB} tI32 I-42m - SV3 #121 alpha-V3S (part 3) equivalent to 649.AB,649.BA [HTQC] A2B2C6D_tI44_121_i_i_ij_c-001.{ABCD} tI44 I-42m - B2Cu2O6Sr #121 SrCu2(BO3)2 (part 3) A2BC2_tI40_122_e_d_e-001.{ABC} tI40 I-42d F1_{1} C2HgN2 #122 Mercury Cyanide [Hg(CN)2] (part 3) A4BC4D_tI40_122_e_b_e_a-001.{ABCD} tI40 I-42d H2_{2} H2KO4P #122 KH2PO4 (part 3) AB2_tI48_122_cd_2e-001.{AB} tI48 I-42d - NaS2 #122 NaS2 (part 3) A8BC4D_tI56_122_2e_b_e_a-001.{ABCD} tI56 I-42d - H6NO4P #122 NH4H2PO4 (part 3) AB_tP2_123_a_d-002.AB tP2 P4/mmm L2_{a} CuTi #123 delta-CuTi (part 3) A3BC_tP5_123_cg_a_d-001.{ABC} tP5 P4/mmm E2_{5} Cl3Hg(NH4) #123 NH4HgCl3 (part 3) AB4C_tP6_123_d_eh_a-001.{ABC} tP6 P4/mmm H0_{8} AlF4Tl #123 TlAlF4 (part 3) A4B2C_tP7_123_j_e_a-001.{ABC} tP7 P4/mmm H1_{5} Cl4K2Pt #123 K2PtCl4 (part 3) A8B2C_tP11_123_r_f_a-001.{ABC} tP11 P4/mmm E6_{1} Sr(OH)2(H2O)8 #123 E61 (Sr(OH)2(H2O)8) (obsolete) (part 3) A8B2C_tP11_123_r_h_a-001.{ABC} tP11 P4/mmm E6_{2} (H2O)8SrO2 #123 E62 [SrO2(H2O)8] (empossibly obsolete) (part 3) AB8C2_tP22_124_a_n_h-001.{ABC} tP22 P4/mcc - Ca(H2O)8O2 #124 CaO2(H2O)8 (part 3) ABC4D2E8_tP32_126_a_b_h_e_k-001.{ABCDE} tP32 P4/nnc J1_{9} AgCoN4(NH3)2O8 #126 Ag[Co(NH3)2(NO2)4] (part 3) A4B10C2D34E4F9_tP252_126_k_ce2k_f_h8k_k_d2k-001.{ABCDEF} tP252 P4/nnc S2_{3} Ag4Ca10Mg2O34(OH)4Si9 #126 Vesuvianite (Ca10Al4(Mg,Fe)2Si9O34(OH)4) (part 3) A2BC4D_tP16_127_h_d_i_a-001.{ABCD} tP16 P4/mbm H4_{9} Cl2(H2O)(NH3)4Pd #127 Pd(NH3)4Cl2.H2O (part 3) AB2C3D2_tP32_127_g_eh_gk_k-001.{ABCD} tP32 P4/mbm - CCl2O3Pb2 #127 Phosgenite [Pb2Cl2(CO3)] (part 3) A3B14C5_tP44_128_ac_ehi_bg-001.{ABC} tP44 P4/mnc K7_{5} Al3F14Na5 #128 Chiolite (Na5Al3F14) (part 3) A4BC16DE28F8_tP116_128_h_a_2i_b_g3i_i-001.{ABCDEF} tP116 P4/mnc S5_{2} Ca4FH16KO28Si8 #128 Apophyllite (KCa4Si8O20F.8H2O) (part 3) ABCD_tP8_129_b_c_a_c-001.{ABCD} tP8 P4/nmm - AgLaOS #129 LaOAgS (part 3) AB4C_tP12_129_c_i_a-001.{ABC} tP12 P4/nmm B25 BrH4N #129 NH4Br (part 3) AB4C6DE_tP26_129_c_j_2ci_a_c-001.{ABCDE} tP26 P4/nmm H5_{10} Ca(H2O)6O12P2U2 #129 Meta-autunite (I) [Ca(UO2)2(PO4)2.6H2O] (part 3) A18B10C_tP116_130_2c4g_2c2g_a-001.{ABC} tP116 P4/ncc - H18O10Sr #130 Sr(OH)2(H2O)8 (part 3) A4B2C_tP14_136_i_g_b-001.{ABC} tP14 P4_{2}/mnm - Fe4Si2Zr #136 ZrFe4Si2 (part 3) A2B3_tP20_136_j_dfg-001.{AB} tP20 P4_{2}/mnm - Al2Zr3 #136 Zr3Al2 (part 3) equivalent to 361,362 [HTQC] A4BC4D2E2_tP26_136_fg_a_j_d_e-001.{ABCDE} tP26 P4_{2}/mnm H4_{1} Cl4CuH4K2O2 #136 K2CuCl4.2H2O (part 3) AB14C2_tP68_136_f_ce2j2k_fg-001.{ABC} tP68 P4_{2}/mnm - BFe14Nd2 #136 Nd2Fe14B (part 3) A2B3_tI10_139_e_ae-001.{AB} tI10 I4/mmm - Au2Nb3 #139 Au2Nb3 (part 3) AB2C2_tI10_139_a_d_e-003.{ABC} tI10 I4/mmm H5_{9} CaP2U2 #139 H59 [Autunite, Ca(UO2)2(PO4)2.10(1/2)H2O] (obsolete) (part 3) A4B2C2D_tI18_139_h_d_e_a-001.{ABCD} tI18 I4/mmm J1_{5} Cl4K2O2Os #139 K2OsO2Cl4 (part 3) AB3C_tI20_139_ab_eh_d-001.{ABC} tI20 I4/mmm K7_{6} AuCl3Cs #139 AuCsCl3 (part 3) A10B4C3_tI34_139_c2eg_2e_ae-001.{ABC} tI34 I4/mmm - O10Sr4Ti3 #139 Sr4Ti3O10 (part 3) A6B2C3D_tI168_139_egikl2m_ejn_bh2n_acf-001.{ABCD} tI168 I4/mmm J3_{1} Cl6(H2O)2K3Tl #139 K3TlCl6.2H2O (part 3) A2BC_tI16_140_h_d_a-001.{ABC} tI16 I4/mcm F5_{2} F2HK #140 KHF2 (part 3) AB6_tI28_140_a_hk-001.{AB} tI28 I4/mcm D2_{c} MnU6 #140 U6Mn (part 3) A5BC2_tI32_140_bl_a_h-001.{ABC} tI32 I4/mcm K3_{4} Br5(NH4)Pb2 #140 NH4Pb2Br5 (part 3) A5BC3_tI36_140_cl_b_ah-001.{ABC} tI36 I4/mcm K3_{1} Cl5CoCs3 #140 Cs3CoCl5 (part 3) A31B20_tI204_140_b2gh3m_ac2fh3l-001.{AB} tI204 I4/mcm - Pu31Rh20 #140 Pu31Rh20 (part 3) AB11_tI48_141_a_bdi-001.{AB} tI48 I4_{1}/amd - BaCd11 #141 BaCd11 (part 3) A2B3_tI160_142_deg_3g-001.{AB} tI160 I4_{1}/acd - As2Cd3 #142 Cd3As2 (part 3) A2B2C3D12E4_tI184_142_f_f_be_3g_g-001.{ABCDE} tI184 I4_{1}/acd S6_{1} Al(H2O)NaO6Si2 #142 Analcime (NaAlSi2O6.H2O) (part 3) AB3C9D_hP28_143_2a_2d_6d_bc-001.{ABCD} hP28 P3 - BLa3O9W #143 La3BWO9 (P3) (part 3) AB3C_hP45_144_3a_9a_3a-001.{ABC} hP45 P3_{1} - NO3Rb #144 RbNO3 (IV) (part 3) A2B3C_hP12_147_abd_g_d-001.{ABC} hP12 P-3 G3_{2} Na2O3S #147 Na2SO3 (part 3) A2BCD6_hR10_148_c_a_b_f-001.{ABCD} hR10 R-3 G1_{1} C2CaMgO6 #148 Dolomite [MgCa(CO3)2] (part 3) A6B6CD_hR14_148_f_f_b_a-001.ABCD/CABD/BCAD/ hR14 R-3 I6_{1} Cl6(H2O)6NiSn #148 Ni(H2O)6SnCl6 (part 3) DBAC/ADBC/CDAB/BACD/ACBD/CBAD/BDAC/DABC/DCAB A6B2C6D_hR15_148_f_c_f_a-001.{ABCD} hR15 R-3 H6_{2} H6K2O6Sn #148 K2Sn(OH)6 (part 3) ABC8D2_hP12_150_b_a_dg_d-001.{ABCD} hP12 P321 H3_{2} AlKO8S2 #150 Steklite [KAl(SO4)2] (part 3) A2B9C3_hP14_150_d_eg_ad-001.{ABC} hP14 P321 K7_{3} As2Cl9Cs3 #150 Cs3As2Cl9 (part 3) A2B12C6D_hP21_150_d_2g_ef_a-001.{ABCD} hP21 P321 - Cl2H12O6Sr #150 SrCl2.(H2O)6 (part 3) AB2CD6_hP30_150_e_c2d_f_3g-001.{ABCD} hP30 P321 - BaC2CaO6 #150 Paralstonite (BaCa(CO3)2) (part 3) AB3C_hP30_150_ef_3g_c2d-001.{ABC} hP30 P321 K1_{1} KO3S #150 KSO3 (part 3) AB2C2DE3_hR9_155_b_c_c_a_e-001.{ABCDE} hR9 R32 - BBe2F2KO3 #155 KBe2BO3F2 (part 3) ABC3_hR5_160_a_a_b-001.{ABC} hR5 R3m G0_{7} BrKO3 #160 KBrO3 (part 3) ABC3_hR5_160_a_a_b-002.{ABC} hR5 R3m - KNO3 #160 gamma-Potassium Nitrate (KNO3) (part 3) AB3C2D_hR7_160_a_b_2a_a-001.{ABCD} hR7 R3m S5_{7} FeO3(OH)2Si #160 Cronstedtite Fe(Fe,Si)[(OH)2,O]O3 (part 3) A3B7C_hR11_160_b_a2b_a-001.{ABC} hR11 R3m - Fe3O7P #160 Fe3PO7 (part 3) AB4C8_hR13_160_a_ab_2a2b-001.{ABC} hR13 R3m - GaMo4S8 #160 Low-Temperature GaMo4S8 (part 3) A3B24C_hR28_160_b_2b3c_a-001.{ABC} hR28 R3m - I3S24Sb #160 SbI3S24 (part 3) A2BC4_hR42_161_2b_b_4b-001.{ABC} hR42 R3c - B2BaO4 #161 alpha-BaB2O4 (Low-Temperature) (part 3) A2B6C_hP9_162_d_k_a-001.{ABC} hP9 P-31m I1_{3} Cl2(H2O)6Sr #162 I13 (SrCl2.(H2O)6) (obsolete) (part 3) A6BC2_hP9_162_k_a_d-001.{ABC} hP9 P-31m - O6PbSb2 #162 Rosiaite (PbSb2O6) (part 3) A6BC_hP16_163_i_b_c-001.{ABC} hP16 P-31c J1_{12} F4NaSb #163 NaSbF4(OH)2 (part 3) ABC6D_hP18_163_d_b_i_c-001.ABCD/DACB/CABD/ hP18 P-31c - AlCaF6Li #163 Colquiriite (LiCaAlF6) (part 3) DCBA/BCAD/DBAC/CDAB/ADBC/BADC/CBDA/ACDB/BDCA AB3_hP4_164_b_ad-001.{AB} hP4 P-3m1 D0_{13} AlCl3 #164 D013 (AlCl3) (obsolete) (part 3) A2BC2_hP5_164_d_a_d-001.{ABC} hP5 P-3m1 - H2MgO2 #164 Brucite [Mg(OH)2] (part 3) A2BC6_hP9_164_d_a_i-001.{ABC} hP9 P-3m1 H6_{3} K2Pt(SCN)6 #164 K2Pt(SCN)6 (part 3) A6B2C_hP9_164_i_d_a-001.{ABC} hP9 P-3m1 J1_{6} F6(NH4)2Si #164 Bararite (Trigonal (NH4)2SiF6) (part 3) A6BC2_hP9_164_i_a_d-001.{ABC} hP9 P-3m1 J1_{13} F6GeK2 #164 K2GeF6 (part 3) AB2C3_hP12_164_d_ae_i-001.{ABC} hP12 P-3m1 - HgPt2Se3 #164 Jacutingaite (Pt2HgSe3) (part 3) AB_hP12_164_c2d_c2d-001.{AB} hP12 P-3m1 - BiSe #164 Nevskite (BiSe) (part 3) A16B2C_hP19_164_2d2i_d_b-001.{ABC} hP19 P-3m1 - H16Li2Mg #164 Predicted Li2MgH16 300GPa (part 3) AB_hR2_166_a_b-003.AB hR2 R-3m B22 KS #166 K(SH) (part 3) AB2_hR6_166_c_2c-002.{AB} hR6 R-3m C12 CaSi2 #166 CaSi2 (part 3) AB4C_hR6_166_b_2c_a-001.{ABC} hR6 R-3m - CaO4U #166 CaUO4 (part 3) A2BC4_hR7_166_c_a_2c-002.{ABC} hR7 R-3m - Bi2MnTe4 #166 MnBi2Te4 (part 3) AB4C2_hR7_166_a_2c_c-001.{ABC} hR7 R-3m - CaCu4P2 #166 CaCu4P2 (part 3) ABC6_hR8_166_a_b_h-001.{ABC} hR8 R-3m - KNO3 #166 beta-Potassium Nitrate (KNO3) (part 3) A13B2_hR15_166_b2h_c-001.{AB} hR15 R-3m D1_{g} B13C2 #166 B13C2 ``B4C'' (part 3) AB4C2_hR28_166_2c_2c2h_abh-001.{ABC} hR28 R-3m - CuS4Ti2 #166 Rhombohedral CuTi2S4 (part 3) A5B21C24D12_hR62_166_a2c_ehi_fg2h_i-001.{ABCD} hR62 R-3m S3_{4}(I) Ca5(H2O)21O24Si12 #166 Chabazite (Ca1.4Sr0.3Al3.8Si8.3O24.13H2O) (part 3) A3B_hR8_167_e_b-001.{AB} hR8 R-3c D0_{12} F3Fe #167 FeF3 (part 3) equivalent to 443,444 [HTQC] A3BC6_hR20_167_e_b_f-001.{ABC} hR20 R-3c J2_{2} Cl3Cr(H2O)6 #167 CrCl3(H2O)6 (part 3) A6BC3D_hR22_167_f_b_e_a-001.{ABCD} hR22 R-3c - Cl6FeK3Na #167 Rinneite (K3NaFeCl6) (part 3) A9B3C2_hR28_167_ef_e_c-001.{ABC} hR28 R-3c K7_{2} Cl9Cs3Tl2 #167 Cs3Tl2Cl9 (part 3) A2BC4_hR42_167_f_ac_2f-001.{ABC} hR42 R-3c - B2BaO4 #167 beta-BaB2O4 (High-Temperature) (part 3) A25B21_hR92_167_b2e3f_e3f-001.{AB} hR92 R-3c - Re25Zr21 #167 Zr21Re25 (part 3) equivalent to 481,482 [HTQC] ABC3_hP10_173_b_a_c-001.{ABC} hP10 P6_{3} - ILiO3 #173 alpha-LiIO3 (part 3) ABC4D_hP14_173_a_b_bc_b-001.{ABCD} hP14 P6_{3} H1_{4} KLiO4S #173 LiKSO4 (part 3) AB3C7D_hP24_173_a_c_b2c_b-001.{ABCD} hP24 P6_{3} - CuLa3S7Si #173 La3CuSiS7 (part 3) AB3C9D_hP28_173_a_c_3c_b-001.{ABCD} hP28 P6_{3} - BLa3O9W #173 La3BWO9 (P6_{3}) (part 3) A3BCD3E15F3_hP52_173_c_b_b_c_5c_c-001.{ABCDEF} hP52 P6_{3} S3_{3}(I) Al3CCaNa3O15Si3 #173 Crancrinite (Na6Ca2Al6Si6O24(CO3)2) (part 3) A3B2_hP20_176_2h_ah-001.{AB} hP20 P6_{3}/m D8_{k} S12Th7 #176 Th7S12 (part 3) A9B3C2_hP28_176_hi_af_f-001.{ABC} hP28 P6_{3}/m K7_{1} Cl9K3W2 #176 K3W2Cl9 (part 3) A10B7_hP34_176_c3h_b2h-001.{AB} hP34 P6_{3}/m - Rh20Si13 #176 Rh20Si13 (part 3) A9B2C9_hP40_176_hi_f_hi-001.{ABC} hP40 P6_{3}/m F4_{1} C9Fe2O9 #176 Fe2(CO)9 (part 3) A5BC12D3_hP42_176_fh_a_2hi_h-001.{ABCD} hP42 P6_{3}/m H5_{7} Ca5FO12P3 #176 Fluorapatite [Ca5F(PO4)3] (part 3) A2BCD2_hP18_180_f_c_b_i-001.{ABCD} hP18 P6_{2}22 - Hg2INaO2 #180 Hg2O2NaI (part 3) ABC3_hP10_182_c_b_g-001.{ABC} hP10 P6_{3}22 E2_{3} ILiO3 #182 E23 (LiIO3) (obsolete) (part 3) A2BC6_hP18_182_f_b_gh-001.{ABC} hP18 P6_{3}22 H2_{8} Al2BaO4 #182 BaAl2O4 (part 3) AB2_hP6_186_b_ab-001.{AB} hP6 P6_{3}mc C27 CdI2 #186 C27 (CdI2) (emquestionable) (part 3) ABCD_hP8_186_b_b_a_a-001.{ABCD} hP8 P6_{3}mc E0_{3} CdClHO #186 Cd(OH)Cl (part 3) A3B8C2_hP26_186_c_ab2c_2b-001.{ABC} hP26 P6_{3}mc - Mo3O8Zn2 #186 Zn2Mo3O8 (part 3) A4BC7D_hP26_186_ac_b_a2c_b-001.{ABCD} hP26 P6_{3}mc E9_{2} Be4NaO7Sb #186 Swedenborgite (NaBe4SbO7) (part 3) AB6CD7_hP30_186_b_d_a_b2c-001.{ABCD} hP30 P6_{3}mc H4_{18} ClH6LiO7 #186 LiClO4.3H2O (part 3) A3B9CD9_hP44_186_c_3c_b_cd-001.{ABCD} hP44 P6_{3}mc G2_{2} Br3(H2O)9NdO9 #186 Nd(BrO3)3.9H2O (part 3) A3B3C2_hP16_187_jk_jk_ck-001.{ABC} hP16 P-6m2 - As3Cr3K2 #187 Cr-233 Quasi-One-Dimensional Superconductor (K2Cr3As3) (part 3) A7B_hP24_187_ai2j2kn_j-001.{AB} hP24 P-6m2 - Cs7O #187 Cs7O (part 3) AB3C_hP20_190_ac_i_f-001.{ABC} hP20 P-62c K1_{2} CsO3S #190 CsSO3 (part 3) ABCD3_hP36_190_h_g_af_hi-001.{ABCD} hP36 P-62c G7_{1} CCeFO3 #190 Bastn"asite [CeF(CO3)] (part 3) A12B_hP13_191_cdei_a-001.{AB} hP13 P6/mmm D2_{a} Be12Ti #191 TiBe12 (approximate) (part 3) A4B5_hP18_193_bg_dg-001.{AB} hP18 P6_{3}/mcm - Ga4Ti5 #193 Ti5Ga4 (part 3) equivalent to 359,360 [HTQC] A3B_hP24_193_ack_g-001.{AB} hP24 P6_{3}/mcm D0_{6} F3La #193 D06 (Tysonite, LaF3) (obsolete) (part 3) AB_hP4_194_a_c-003.{AB} hP4 P6_{3}/mmc C_{k} LiZn2 #194 LiZn2 (part 3) A2B3_hP10_194_f_bf-001.{AB} hP10 P6_{3}/mmc D5_{b} Pt2Sn3 #194 Pt2Sn3 (part 3) AB2C2_hP10_194_a_bc_f-001.{ABC} hP10 P6_{3}/mmc - CoNa0.74O2 #194 Na0.74CoO2 (part 3) AB2C2_hP10_194_a_f_f-001.{ABC} hP10 P6_{3}/mmc - EuIn2P2 #194 EuIn2P2 (part 3) A10B_hP22_194_bhj_c-001.{AB} hP22 P6_{3}/mmc - H10Hf #194 Proposed 300GPa HfH10 (part 3) AB3C2_hP24_194_f_k_bh-001.{ABC} hP24 P6_{3}/mmc - CoGa3Lu2 #194 Lu2CoGa3 (part 3) A9B2C3_hP28_194_hk_f_bf-001.{ABC} hP28 P6_{3}/mmc - Cl9Cr2Cs3 #194 Cs3Cr2Cl9 (part 3) A3B2C9D3E_hP36_194_g_f_hk_h_a-001.{ABCDE} hP36 P6_{3}/mmc S3_{4}(II) (H2O)Na2O9Si3Zr #194 S34 (II) (Catapleiite, Na2Zr(SiO3)3.H2O) (obsolete) (part 3) A2B3_hP60_194_3fk_cdef2k-001.{AB} hP60 P6_{3}/mmc D5_{6} Al2O3 #194 beta-Alumina (Al2O3) (part 3) A12B19C_hP64_194_ab2fk_efh2k_d-001.{ABC} hP64 P6_{3}/mmc - Fe12O19Pb #194 Magnetoplumbite (PbFe12O19) (part 3) ABC4D_cP28_198_a_a_ab_a-001.{ABCD} cP28 P2_{1}3 S6_{5} AlNaO4Si #198 alpha-Carnegieite (NaAlSiO4) (part 3) AB2C4D_cP32_198_a_2a_ab_a-001.{ABCD} cP32 P2_{1}3 S6_{6} CaNa2O4Si #198 Na2CaSiO4 (part 3) A2B4C_cP56_198_ab_2a2b_2a-001.{ABC} cP56 P2_{1}3 - Cu2O4Se #198 Cubic Cu2OSeO3 (part 3) AB2_cI36_199_b_c-001.{AB} cI36 I2_{1}3 C26_{a} NO2 #199 C26a (NO2) (obsolete) (part 3) A3B11C3_cP68_201_be_efh_g-001.{ABC} cP68 Pn-3 - Bi3O11Ru3 #201 Bi3Ru3O11 (part 3) AB3C6D12_cF88_202_a_bc_e_h-001.{ABCD} cF88 Fm-3 J2_{4} CoK3N6O12 #202 K3Co(NO2)6 (part 3) A4BC12_cI34_204_c_a_g-001.{ABC} cI34 Im-3 - Fe4LaP12 #204 LaFe4P12 (part 3) AB2_cI36_204_d_g-001.{AB} cI36 Im-3 C26 NO2 #204 NO2 (Modern) (part 3) A7BC12_cI40_204_bc_a_g-001.{ABC} cI40 Im-3 - Mn7NaO12 #204 NaMn7O12 (part 3) A6BC_cP32_205_d_b_a-001.{ABC} cP32 Pa-3 - F6NaSb #205 NaSbF6 (part 3) A2B6C_cP36_205_c_d_a-001.{ABC} cP36 Pa-3 G2_{1} N2O6Pb #205 Pb(NO3)2 (part 3) A4B_cP40_205_cd_c-001.{AB} cP40 Pa-3 D1_{1} I4Sn #205 SnI4 (part 3) A7B2C_cP40_205_bd_c_a-001.{ABC} cP40 Pa-3 K6_{1} P2O7Zr #205 ZrP2O7 High-Temperature (part 3) A2B6C6D_cP60_205_c_d_d_a-001.{ABCD} cP60 Pa-3 J1_{10} Br2(H2O)6O6Zn #205 Zn(BrO3)2.6H2O (J110) (part 3) A2B6CD6_cP60_205_c_d_a_d-001.{ABCD} cP60 Pa-3 H6_{4} N2(NH3)6NiO6 #205 H64 [Ni(NO3)2(NH3)6] (obsolete) (part 3) A2BC4_cP84_205_d_ac_2d-001.{ABC} cP84 Pa-3 - B2CaO4 #205 CaB2O4 (IV) (part 3) AB12CD8E2_cP96_205_a_2d_b_cd_c-001.{ABCDE} cP96 Pa-3 - Cr(H2O)12NaO8S2 #205 NaCr(SO4)2.12H2O Alum (part 3) AB24CD20E2_cP192_205_a_4d_b_c3d_c-001.{ABCDE} cP192 Pa-3 H4_{15} AlH24NaO20S2 #205 gamma-Alum [AlNa(SO4)2.12H2O] (part 3) AB24CD28E2_cP224_205_a_4d_b_2c4d_c-001.{ABCDE} cP224 Pa-3 H4_{13} AlH24KO20S2 #205 alpha-Alum [KAl(SO4)2.12H2O] (part 3) AB2C36D2E20F2_cP252_205_a_c_6d_c_c3d_c-001.{ABCDEF} cP252 Pa-3 H4_{14} AlC2H36N2O20S2 #205 beta-Alum [Al(NH3CH3)2(SO4)2.12H2O] (part 3) A2B3_cP60_212_bcd_ace-001.{AB} cP60 P4_{3}32 D5_{7} Fe2O3 #212 Maghemite (gamma-Fe2O3) (part 3) A3B2_cP20_213_d_c-001.{AB} cP20 P4_{1}32 - Mg3Ru2 #213 Mg3Ru2 (part 3) equivalent to 593,594 [HTQC] A2BC3_cP24_213_c_a_d-001.{ABC} cP24 P4_{1}32 - Al2CMo3 #213 Al2Mo3C (part 3) ABC4_cF24_216_b_a_e-001.{ABC} cF24 F-43m H0_{5} ClKO4 #216 High-Temperature Cubic KClO4 (part 3) AB_cF40_216_de_ce-001.AB cF40 F-43m - AlN #216 AlN (cF40) (part 3) AB4C8_cF52_216_a_e_2e-001.{ABC} cF52 F-43m - GaMo4S8 #216 GaMo4S8 (part 3) A13BC18D20E5_cF228_216_dh_b_fh_2eh_ce-001.{ABCDE} cF228 F-43m S0_{8} Al13ClF18O20Si5 #216 Zunyite [Al13(OH,F)18Si5O20Cl] (part 3) A16B40C12D6E5_cF316_216_eh_e2g2h_h_f_be-001.{ABCDE} cF316 F-43m - F16O40Ti12Y6Zn5 #216 Murataite [(Y,Na)6(Zn,Fe)5Ti12O29(O,F)10F4] (part 3) A45B11_cF448_216_bd4efg5h_ac2eh-001.{AB} cF448 F-43m - Cd45Sm11 #216 Sm11Cd45 (part 3) AB_cI16_217_c_c-001.AB cI16 I-43m - AlN #217 AlN (cI16) (part 3) A4B24C13_cI82_217_c_deg_ag-001.{ABC} cI82 I-43m - As4Cu12S13 #217 Tennantite (Cu12As4S13) (part 3) A3BC4D12E3_cP46_218_d_a_e_i_c-001.{ABCDE}/2 (60) cP46 P-43n S6_{2} Al3ClNa4O12Si3 #218 Sodalite [Na4(AlSiO4)3Cl] (part 3) A3B4C4D4E16F4G3_cP76_218_c_e_e_e_ei_e_d-001.{ABCDEFG}/2 (2520) cP76 P-43n S6_{9} Al3Ca4K4Na4O16S4Si3 #218 Hauyne [(Na0.5Ca0.3K0.2)8(Al6Si6O24)(SO4)1.5] (part 3) AB_cI24_220_a_b.AB cI24 I-43d - AlN #220 AlN (cI24) (part 3) A4B12C3_cI76_220_c_e_a-001.{ABC} cI76 I-43d S1_{5} Bi4O12Si3 #220 Eulytine (Bi4(SiO4)3) (part 3) A7B12C19_cI152_220_bc_2d_ace-001.{ABC} cI152 I-43d K7_{4} Al14Ca12O33 #220 Mayenite (12CaO.7Al2O3, C12A7) (part 3) AB9C3_cI208_220_c_3e_e-001.{ABC} cI208 I-43d G5_{2} AlO9P3 #220 Al(PO3)3 (part 3) AB12C_cP14_221_a_h_b-001.ABC/CAB/BCA cP14 Pm-3m - CaH12Y #221 Predicted High-Pressure YCaH12 (part 3) A3B40CD12_cP112_224_d_e3k_a_k-001.{ABCD} cP112 Pn-3m - (H3O)3O40PW12 #224 H3PW12O40.3H2O (part 3) A5B40CD12_cP116_224_cd_e3k_a_k-001.{ABCD} cP116 Pn-3m H4_{16} (H2.6O)5O40PW12 #224 12-phosphotungstic acid [H3PW12O40.5H2O] (part 3) A27B52CD12_cP184_224_dl_eh3k_a_k-001.{ABCD} cP184 Pn-3m - H15O46PW12 #224 Dodecatungstophosphoric Acid Hexahydrate [H3PW12O40.6H2O] (part 3) A2BC6D_cF40_225_c_a_e_b-001.ABCD/BDCA/CABD/ cF40 Fm-3m - Ba2MnO6W #225 Double Perovskite (Ba2MnWO6) (part 3) equivalent to Q0001 [HTQC] ADBC/BCAD/CDAB/DBAC/DCBA/BADC/ACDB/CBDA/DACB A10B_cF44_225_cf_b-001.{AB} cF44 Fm-3m - H10La #225 LaH10 High-Tc Superconductor (part 3) A9B8_cF68_225_af_ce-001.{AB} cF68 Fm-3m D8_{9} Co9S8 #225 Co9S8 (part 3) ABC6D8E2_cF72_225_b_a_e_f_c-001.{ABCDE} cF72 Fm-3m H5_{8} ClFNa6O8S2 #225 Sulphohalite [Na6ClF(SO4)2] (part 3) A6B9CD2E6_cF96_225_e_bf_a_c_e-001.{ABCDE} cF96 Fm-3m J2_{5} C12Cu3Fe2(H2O)xN12 #225 Cu3[Fe(CN)6]2. xH2O (x approx 3) (part 3) AB30C16D3_cF200_225_a_ej_2f_bc-001.{ABCD} cF200 Fm-3m J2_{1} AlF6H12N3 #225 (NH4)3AlF6 (part 3) AB_cF32_227_c_d.AB cF32 Fd-3m L1_{3}(I) CuPt #227 Cubic CuPt (part 3) A3B2_cF80_227_f_e-002.{AB} cF80 Fd-3m D6_{1} O3Sb2 #227 Senarmontite (Sb2O3) (part 3) A2B_cF96_227_abf_cd-001.{AB} cF96 Fd-3m D6_{2} O2Sb #227 D62 (Sb2O4) (obsolete) (part 3) A11B4_cF120_227_acdf_e-001.{AB} cF120 Fd-3m - Ga2O3 #227 gamma-Ga2O3 (part 3) A16B2C_cF152_227_eg_d_a-001.{ABC} cF152 Fd-3m - H16Li2Mg #227 Predicted Li2MgH16 High-Temperature Superconductor (250GPa) (part 3) A18B2C3_cF184_227_fg_d_ac-001.{ABC} cF184 Fd-3m - Al18Cr2Mg3 #227 Mg3Cr2Al18 (part 3) A22B_cF184_227_cdfg_a-001.{AB} cF184 Fd-3m - Zn22Zr #227 Zn22Zr (part 3) equivalent to 425,426 [HTQC] A2BCD3E6_cF208_227_e_c_d_f_g-001.{ABCDE} cF208 Fd-3m G7_{3} C2ClMgNa3O6 #227 G73 [Northupite, Na3MgCl(CO3)2] (obsolete) (part 3) A4B2C6D16E_cF232_227_e_d_f_eg_a-001.{ABCDE} cF232 Fd-3m H5_{6} C4Mg2Na6O16S #227 H56 [Tychite, Na6Mg2SO4(CO3)4)] (obsolete) (part 3) A29B40CD12_cF656_227_ae2fg_e3g_b_g-001.{ABCD} cF656 Fd-3m H4_{21} (H2O)29O40PW12 #227 H3PW12O40.29H2O (part 3) A21B_cI44_229_bdh_a-001.{AB} cI44 Im-3m B23 AgI #229 alpha-AgI (part 3) A2B3C12D12_cI232_230_a_c_h_h-001.{ABCD} cI232 Ia-3d J2_{3} Al2Ca3H12O12 #230 Ca3Al2(OH)12 (part 3) ***************************************************************************************************************************************************** ANRL - metal carbo-nitrides - QUATERNARIES ANRL Label Pearson SG symbol Struk Prototype SG # notes -------------------------------------------------------------------------------------------------------------------------------------------------------------------------------- A2BCD4_mP16_11_2e_e_e_4e-001.{ABCD} mP16 P2_{1}/m - C2La1Li1N4 #11 quaternary metal-carbo-nitride prototype; C2La1Li1N4, ICSD #420440 AB2C2D_mC24_15_a_f_f_e-001.{ABCD} mC24 C2/c - Ag1C2N2Na1 #15 quaternary metal-carbo-nitride prototype; Ag1C2N2Na1, ICSD #65697 A6BC6D2_hP15_147_g_a_g_d-001.{ABCD} hP15 P-3 - C6Fe1N6Pb2 #147 quaternary metal-carbo-nitride prototype; C6Fe1N6Pb2, ICSD #51493 A6BC6D2_hP15_147_g_a_g_d-002.{ABCD} hP15 P-3 - C6Fe1N6Sn2 #147 quaternary metal-carbo-nitride prototype; C6Fe1N6Sn2, ICSD #51494 A6B2C6D_hP15_147_g_d_g_a-001.{ABCD} hP15 P-3 - C6Cd2N6Os1 #147 quaternary metal-carbo-nitride prototype; C6Cd2N6Os1, ICSD #417821 A6B2C6D_hP15_147_g_d_g_a-002.{ABCD} hP15 P-3 - C6Cd2N6Ru1 #147 quaternary metal-carbo-nitride prototype; C6Cd2N6Ru1, ICSD #417822 A6B2C6D_hP15_147_g_d_g_a-003.{ABCD} hP15 P-3 - C6Mn2N6Ru1 #147 quaternary metal-carbo-nitride prototype; C6Mn2N6Ru1, ICSD #417823 A6B2CD6_hP15_147_g_d_a_g-001.{ABCD} hP15 P-3 - C6Cd2Fe1N6 #147 quaternary metal-carbo-nitride prototype; C6Cd2Fe1N6, ICSD #417826 A3B6CD6_hP16_162_g_k_a_k-001.{ABCD} hP16 P-31m - Ag3C6Co1N6 #162 quaternary metal-carbo-nitride prototype; Ag3C6Co1N6, ICSD #16959 A3B6CD6_hP16_162_g_k_a_k-002.{ABCD} hP16 P-31m - Ag3C6Fe1N6 #162 quaternary metal-carbo-nitride prototype; Ag3C6Fe1N6, ICSD #173552 A6B2CD6_cF60_216_f_bc_a_f-001.{ABCD} cF60 F-43m - C6Cu2Fe1N6 #216 quaternary metal-carbo-nitride prototype; C6Cu2Fe1N6, ICSD #28653 A6BC6D_cF56_225_e_a_e_b-001.{ABCD} cF56 Fm-3m - C6Cd1N6Pd1 #225 quaternary metal-carbo-nitride prototype; C6Cd1N6Pd1, ICSD #6093 A3BCD3_cF64_225_e_c_ab_e-001.{ABCD} cF64 Fm-3m - C6Cs2Mn2N6 #225 quaternary metal-carbo-nitride prototype; C6Cs2Mn2N6, ICSD #248046 **************************************************************************************************** **************************************************************************************************** **************************************************************************************************** **************************************************************************************************** * * * aflow - STEFANO CURTAROLO Duke University 2003-2021 * * High-Throughput ab-initio Computing Project * * * ****************************************************************************************************