16:49:35 | URI: https://query.openkim.org/api
         | Query: {"meta.type":"tr", "meta.subject._id":"SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003","meta.runner.kimcode":{"$regex":"^CohesiveEnergyVsLatticeConstant_"}, "species.source-value":{"$not":{"$elemMatch":{"$nin":["Se"]}}}}
         | Database: data
         | Fields: {"a.si-value":1,"short-name.source-value":1, "meta.runner.version":1, "species.source-value":1, "cohesive-potential-energy.si-value":1,"_id":0}
Loading...

Model: SW_ZhouWardMartin_2013_CdTeZnSeHgS__MO_503261197030_003

Species: Se

This graph shows the cohesive energy versus volume-per-atom for the current model for four mono-atomic cubic phases (body-centered cubic (bcc), face-centered cubic (fcc), simple cubic (sc), and diamond). The curve with the lowest minimum is the ground state of the crystal if stable. (The crystal structure is enforced in these calculations, so the phase may not be stable.) The curves below are for the species specified above.