Oqmd Structure
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"created_at": "2022-09-04T15:26:17.480435Z", "updated_at": "2022-09-04T15:26:17.480466Z", "structure_string": "Ta1 Tl1 Co1 Cu1\n1.0\n0.000000 3.162280 3.162280\n3.162280 0.000000 3.162280\n3.162280 3.162280 0.000000\nCo Cu Ta Tl\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ta\n0.500000 0.500000 0.500000 Tl\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cu", "Ta", "Tl" ], "chemical_system": "Co-Cu-Ta-Tl", "density": 13.33274912808782, "density_atomic": 0.0632454128136781, "volume": 63.245693593368706, "volume_molar": 9.521861732077413, "formula_full": "Ta1 Tl1 Co1 Cu1", "formula_reduced": "TaTlCoCu", "formula_anonymous": "ABCD", "formation_energy": 0.52531622875, "spacegroup": 216 }, { "id": "oqmd-999877", "created_at": "2022-09-04T15:26:16.676106Z", "updated_at": "2022-09-04T15:26:16.676132Z", "structure_string": "Ta1 Tl1 Co1 Cu1\n1.0\n0.000000 3.153577 3.153577\n3.153577 0.000000 3.153577\n3.153577 3.153577 0.000000\nCo Cu Ta Tl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Tl\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cu", "Ta", "Tl" ], "chemical_system": "Co-Cu-Ta-Tl", "density": 13.443438134097493, "density_atomic": 0.06377047871057326, "volume": 62.72494861069301, "volume_molar": 9.443461742433994, "formula_full": "Ta1 Tl1 Co1 Cu1", "formula_reduced": "TaTlCoCu", "formula_anonymous": "ABCD", "formation_energy": 0.58174483125, "spacegroup": 216 }, { "id": "oqmd-999876", "created_at": "2022-09-04T15:26:16.397082Z", "updated_at": "2022-09-04T15:26:16.397109Z", "structure_string": "Ta1 Tl1 Co1 Cu1\n1.0\n0.000000 3.125633 3.125633\n3.125633 0.000000 3.125633\n3.125633 3.125633 0.000000\nCo Cu Ta Tl\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Co\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ta\n0.500001 0.500001 0.500001 Tl\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cu", "Ta", "Tl" ], "chemical_system": "Co-Cu-Ta-Tl", "density": 13.807235140463442, "density_atomic": 0.06549619121194503, "volume": 61.07225360717602, "volume_molar": 9.194642693820795, "formula_full": "Ta1 Tl1 Co1 Cu1", "formula_reduced": "TaTlCoCu", "formula_anonymous": "ABCD", "formation_energy": 0.278978108750001, "spacegroup": 216 }, { "id": "oqmd-999875", "created_at": "2022-09-04T15:26:16.873040Z", "updated_at": "2022-09-04T15:26:16.873068Z", "structure_string": "Cs1 Co1 Cu1 Re1\n1.0\n0.000000 3.244295 3.244295\n3.244295 0.000000 3.244295\n3.244295 3.244295 0.000000\nCo Cs Cu Re\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Re\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cs", "Cu", "Re" ], "chemical_system": "Co-Cs-Cu-Re", "density": 10.73690078097454, "density_atomic": 0.05856915845708441, "volume": 68.29532992062596, "volume_molar": 10.282102250816228, "formula_full": "Cs1 Co1 Cu1 Re1", "formula_reduced": "CsCoCuRe", "formula_anonymous": "ABCD", "formation_energy": 2.06845910875, "spacegroup": 216 }, { "id": "oqmd-999874", "created_at": "2022-09-04T15:26:17.752884Z", "updated_at": "2022-09-04T15:26:17.752915Z", "structure_string": "Cs1 Co1 Cu1 Re1\n1.0\n0.000000 3.249818 3.249818\n3.249818 0.000000 3.249818\n3.249818 3.249818 0.000000\nCo Cs Cu Re\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Cs\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Re\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cs", "Cu", "Re" ], "chemical_system": "Co-Cs-Cu-Re", "density": 10.68225232270632, "density_atomic": 0.058271054350784175, "volume": 68.64471639590593, "volume_molar": 10.334703614160636, "formula_full": "Cs1 Co1 Cu1 Re1", "formula_reduced": "CsCoCuRe", "formula_anonymous": "ABCD", "formation_energy": 1.96232791875, "spacegroup": 216 }, { "id": "oqmd-999873", "created_at": "2022-09-04T15:26:16.473312Z", "updated_at": "2022-09-04T15:26:16.473333Z", "structure_string": "Cs1 Co1 Cu1 Re1\n1.0\n0.000000 3.356027 3.356027\n3.356027 0.000000 3.356027\n3.356027 3.356027 0.000000\nCo Cs Cu Re\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Co\n0.000000 0.000000 0.000000 Cs\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Re\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cs", "Cu", "Re" ], "chemical_system": "Co-Cs-Cu-Re", "density": 9.699818613192612, "density_atomic": 0.052911936596054684, "volume": 75.5973086099112, "volume_molar": 11.381440838151129, "formula_full": "Cs1 Co1 Cu1 Re1", "formula_reduced": "CsCoCuRe", "formula_anonymous": "ABCD", "formation_energy": 1.88827728375, "spacegroup": 216 }, { "id": "oqmd-999872", "created_at": "2022-09-04T15:26:18.767188Z", "updated_at": "2022-09-04T15:26:18.767210Z", "structure_string": "K1 Co1 Cu1 Re1\n1.0\n0.000000 3.206095 3.206095\n3.206095 0.000000 3.206095\n3.206095 3.206095 0.000000\nCo Cu K Re\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 K\n0.499999 0.499999 0.499999 Re\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cu", "K", "Re" ], "chemical_system": "Co-Cu-K-Re", "density": 8.761937634573233, "density_atomic": 0.06068772189970818, "volume": 65.91119051412662, "volume_molar": 9.923161673381182, "formula_full": "K1 Co1 Cu1 Re1", "formula_reduced": "KCoCuRe", "formula_anonymous": "ABCD", "formation_energy": 1.832903495, "spacegroup": 216 }, { "id": "oqmd-999871", "created_at": "2022-09-04T15:26:18.737813Z", "updated_at": "2022-09-04T15:26:18.737829Z", "structure_string": "K1 Co1 Cu1 Re1\n1.0\n0.000000 3.136401 3.136401\n3.136401 0.000000 3.136401\n3.136401 3.136401 0.000000\nCo Cu K Re\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 K\n0.250000 0.250000 0.250000 Re\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cu", "K", "Re" ], "chemical_system": "Co-Cu-K-Re", "density": 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"formation_energy": 1.489941265, "spacegroup": 216 }, { "id": "oqmd-999869", "created_at": "2022-09-04T15:26:19.027638Z", "updated_at": "2022-09-04T15:26:19.027670Z", "structure_string": "Zr1 Co1 Cu1 Pb1\n1.0\n0.000000 3.249953 3.249953\n3.249953 0.000000 3.249953\n3.249953 3.249953 0.000000\nCo Cu Pb Zr\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Pb\n0.249999 0.249999 0.249999 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cu", "Pb", "Zr" ], "chemical_system": "Co-Cu-Pb-Zr", "density": 10.18052285226195, "density_atomic": 0.058263793077555574, "volume": 68.6532714180753, "volume_molar": 10.335991602853358, "formula_full": "Zr1 Co1 Cu1 Pb1", "formula_reduced": "ZrCoCuPb", "formula_anonymous": "ABCD", "formation_energy": 0.250616385, "spacegroup": 216 }, { "id": "oqmd-999868", "created_at": "2022-09-04T15:26:16.857690Z", "updated_at": "2022-09-04T15:26:16.857711Z", "structure_string": "Zr1 Co1 Cu1 Pb1\n1.0\n0.000000 3.248202 3.248202\n3.248202 0.000000 3.248202\n3.248202 3.248202 0.000000\nCo Cu Pb Zr\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Co", "Cu", "Pb", "Zr" ], "chemical_system": "Co-Cu-Pb-Zr", "density": 10.1969956948152, "density_atomic": 0.058358068224701735, "volume": 68.54236477805283, "volume_molar": 10.31929421791751, "formula_full": "Zr1 Co1 Cu1 Pb1", "formula_reduced": "ZrCoCuPb", "formula_anonymous": "ABCD", "formation_energy": 0.20615161, "spacegroup": 216 } ] }{ "count": 1013513, "next": "