Oqmd Structure
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"created_at": "2022-09-04T15:26:15.392411Z", "updated_at": "2022-09-04T15:26:15.392444Z", "structure_string": "Ta1 Cu1 Re1 Bi1\n1.0\n0.000000 3.252907 3.252907\n3.252907 0.000000 3.252907\n3.252907 3.252907 0.000000\nBi Cu Re Ta\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Bi\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Re", "Ta" ], "chemical_system": "Bi-Cu-Re-Ta", "density": 15.430066652807316, "density_atomic": 0.05810520723789171, "volume": 68.84064596178757, "volume_molar": 10.36420149978026, "formula_full": "Ta1 Cu1 Re1 Bi1", "formula_reduced": "TaCuReBi", "formula_anonymous": "ABCD", "formation_energy": 0.7990523175, "spacegroup": 216 }, { "id": "oqmd-999461", "created_at": "2022-09-04T15:26:16.231666Z", "updated_at": "2022-09-04T15:26:16.231692Z", "structure_string": "Cu1 Bi1 Ru1 Pb1\n1.0\n0.000000 3.419738 3.419738\n3.419738 0.000000 3.419738\n3.419738 3.419738 0.000000\nBi Cu Pb Ru\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Pb\n0.250000 0.250000 0.250000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Pb", "Ru" ], "chemical_system": "Bi-Cu-Pb-Ru", "density": 12.057701124789082, "density_atomic": 0.05000938259299387, "volume": 79.98499066773893, "volume_molar": 12.042021812210258, "formula_full": "Cu1 Bi1 Ru1 Pb1", "formula_reduced": "CuBiRuPb", "formula_anonymous": "ABCD", "formation_energy": 0.47334989375, "spacegroup": 216 }, { "id": "oqmd-999460", "created_at": "2022-09-04T15:26:15.440643Z", "updated_at": "2022-09-04T15:26:15.440669Z", "structure_string": "Cu1 Bi1 Ru1 Pb1\n1.0\n0.000000 3.468678 3.468678\n3.468678 0.000000 3.468678\n3.468678 3.468678 0.000000\nBi Cu Pb Ru\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Pb\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Pb", "Ru" ], "chemical_system": "Bi-Cu-Pb-Ru", "density": 11.554497423946424, "density_atomic": 0.04792234244021423, "volume": 83.46837396336001, "volume_molar": 12.566457425391826, "formula_full": "Cu1 Bi1 Ru1 Pb1", "formula_reduced": "CuBiRuPb", "formula_anonymous": "ABCD", "formation_energy": 0.74303761375, "spacegroup": 216 }, { "id": "oqmd-999459", "created_at": "2022-09-04T15:26:16.003629Z", "updated_at": "2022-09-04T15:26:16.003664Z", "structure_string": "Cu1 Bi1 Ru1 Pb1\n1.0\n0.000000 3.471910 3.471910\n3.471910 0.000000 3.471910\n3.471910 3.471910 0.000000\nBi Cu Pb Ru\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Bi\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Ru\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Pb", "Ru" ], "chemical_system": "Bi-Cu-Pb-Ru", "density": 11.522259218333598, "density_atomic": 0.04778863430282402, "volume": 83.70191068137773, "volume_molar": 12.601617200105105, "formula_full": "Cu1 Bi1 Ru1 Pb1", "formula_reduced": "CuBiRuPb", "formula_anonymous": "ABCD", "formation_energy": 0.72067314375, "spacegroup": 216 }, { "id": "oqmd-999458", "created_at": "2022-09-04T15:26:15.693279Z", "updated_at": "2022-09-04T15:26:15.693297Z", "structure_string": "Cu1 Bi1 Os1 Pb1\n1.0\n0.000000 3.418509 3.418509\n3.418509 0.000000 3.418509\n3.418509 3.418509 0.000000\nBi Cu Os Pb\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Os\n0.500000 0.500000 0.500000 Pb\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Os", "Pb" ], "chemical_system": "Bi-Cu-Os-Pb", "density": 13.923725705383708, "density_atomic": 0.0500633391250105, "volume": 79.89878561659287, "volume_molar": 12.029043338404643, "formula_full": "Cu1 Bi1 Os1 Pb1", "formula_reduced": "CuBiOsPb", "formula_anonymous": "ABCD", "formation_energy": 0.748062923749999, "spacegroup": 216 }, { "id": "oqmd-999457", "created_at": "2022-09-04T15:26:15.111892Z", "updated_at": "2022-09-04T15:26:15.111921Z", "structure_string": "Cu1 Bi1 Os1 Pb1\n1.0\n0.000000 3.461969 3.461969\n3.461969 0.000000 3.461969\n3.461969 3.461969 0.000000\nBi Cu Os Pb\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Os\n0.250001 0.250001 0.250001 Pb\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Os", "Pb" ], "chemical_system": "Bi-Cu-Os-Pb", "density": 13.4059043975429, "density_atomic": 0.04820149091791983, "volume": 82.98498498337783, "volume_molar": 12.493681513409687, "formula_full": "Cu1 Bi1 Os1 Pb1", "formula_reduced": "CuBiOsPb", "formula_anonymous": "ABCD", "formation_energy": 1.00939117125, "spacegroup": 216 }, { "id": "oqmd-999456", "created_at": "2022-09-04T15:26:16.421693Z", "updated_at": "2022-09-04T15:26:16.421721Z", "structure_string": "Cu1 Bi1 Os1 Pb1\n1.0\n0.000000 3.470469 3.470469\n3.470469 0.000000 3.470469\n3.470469 3.470469 0.000000\nBi Cu Os Pb\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 Pb\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Os", "Pb" ], "chemical_system": "Bi-Cu-Os-Pb", "density": 13.307642758335474, "density_atomic": 0.0478481870773595, "volume": 83.59773367239434, "volume_molar": 12.58593298480376, "formula_full": "Cu1 Bi1 Os1 Pb1", "formula_reduced": "CuBiOsPb", "formula_anonymous": "ABCD", "formation_energy": 0.980044791249999, "spacegroup": 216 }, { "id": "oqmd-999455", "created_at": "2022-09-04T15:26:16.211128Z", "updated_at": "2022-09-04T15:26:16.211155Z", "structure_string": "Fe1 Cu1 Bi1 Pb1\n1.0\n0.000000 3.462860 3.462860\n3.462860 0.000000 3.462860\n3.462860 3.462860 0.000000\nBi Cu Fe Pb\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Fe\n0.500000 0.500000 0.500000 Pb\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Fe", "Pb" ], "chemical_system": 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"formula_anonymous": "ABCD", "formation_energy": 0.72760880625, "spacegroup": 216 }, { "id": "oqmd-999453", "created_at": "2022-09-04T15:26:17.244560Z", "updated_at": "2022-09-04T15:26:17.244587Z", "structure_string": "Fe1 Cu1 Bi1 Pb1\n1.0\n0.000000 3.535398 3.535398\n3.535398 0.000000 3.535398\n3.535398 3.535398 0.000000\nBi Cu Fe Pb\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Pb\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Fe", "Pb" ], "chemical_system": "Bi-Cu-Fe-Pb", "density": 10.062862612326803, "density_atomic": 0.045260053185002314, "volume": 88.37815509517492, "volume_molar": 13.305642252306363, "formula_full": "Fe1 Cu1 Bi1 Pb1", "formula_reduced": "FeCuBiPb", "formula_anonymous": "ABCD", "formation_energy": 0.711479826250001, "spacegroup": 216 }, { "id": "oqmd-999452", "created_at": "2022-09-04T15:26:16.262465Z", "updated_at": "2022-09-04T15:26:16.262483Z", "structure_string": "Mn1 Nb1 Cu1 Bi1\n1.0\n0.000000 3.289774 3.289774\n3.289774 0.000000 3.289774\n3.289774 3.289774 0.000000\nBi Cu Mn Nb\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Nb\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Mn", "Nb" ], "chemical_system": "Bi-Cu-Mn-Nb", "density": 9.80287527628997, "density_atomic": 0.0561735413364551, "volume": 71.20790152861716, "volume_molar": 10.720600155738792, "formula_full": "Mn1 Nb1 Cu1 Bi1", "formula_reduced": "MnNbCuBi", "formula_anonymous": "ABCD", "formation_energy": 0.488833585301725, "spacegroup": 216 } ] }{ "count": 1013513, "next": "