Oqmd Structure
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"oqmd-999486", "created_at": "2022-09-04T15:26:17.084186Z", "updated_at": "2022-09-04T15:26:17.084199Z", "structure_string": "Cu1 Hg1 Bi1 Pd1\n1.0\n0.000000 3.400352 3.400352\n3.400352 0.000000 3.400352\n3.400352 3.400352 0.000000\nBi Cu Hg Pd\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Hg\n0.249999 0.249999 0.249999 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Hg", "Pd" ], "chemical_system": "Bi-Cu-Hg-Pd", "density": 12.238499926625618, "density_atomic": 0.05086960492894595, "volume": 78.63241724772881, "volume_molar": 11.838387124121867, "formula_full": "Cu1 Hg1 Bi1 Pd1", "formula_reduced": "CuHgBiPd", "formula_anonymous": "ABCD", "formation_energy": 0.0827799625084333, "spacegroup": 216 }, { "id": "oqmd-999485", "created_at": "2022-09-04T15:26:15.321189Z", "updated_at": "2022-09-04T15:26:15.321228Z", "structure_string": "Cu1 Hg1 Bi1 Pd1\n1.0\n0.000000 3.428982 3.428982\n3.428982 0.000000 3.428982\n3.428982 3.428982 0.000000\nBi Cu Hg Pd\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Hg", "Pd" ], "chemical_system": "Bi-Cu-Hg-Pd", "density": 11.934499330381762, "density_atomic": 0.04960601949594324, "volume": 80.63537531623795, "volume_molar": 12.13993950974536, "formula_full": "Cu1 Hg1 Bi1 Pd1", "formula_reduced": "CuHgBiPd", "formula_anonymous": "ABCD", "formation_energy": 0.209444120008433, "spacegroup": 216 }, { "id": "oqmd-999484", "created_at": "2022-09-04T15:26:16.956326Z", "updated_at": "2022-09-04T15:26:16.956357Z", "structure_string": "Lu1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.400791 3.400791\n3.400791 0.000000 3.400791\n3.400791 3.400791 0.000000\nBi Cu Ir Lu\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ir\n0.250001 0.250001 0.250001 Lu\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ir", "Lu" ], "chemical_system": "Bi-Cu-Ir-Lu", "density": 13.504007956971964, "density_atomic": 0.05084990756389059, "volume": 78.66287652488222, "volume_molar": 11.84297287548351, "formula_full": "Lu1 Cu1 Bi1 Ir1", "formula_reduced": "LuCuBiIr", "formula_anonymous": "ABCD", "formation_energy": -0.0457886025000001, "spacegroup": 216 }, { "id": "oqmd-999483", "created_at": "2022-09-04T15:26:16.256891Z", "updated_at": "2022-09-04T15:26:16.256919Z", "structure_string": "Lu1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.357686 3.357686\n3.357686 0.000000 3.357686\n3.357686 3.357686 0.000000\nBi Cu Ir Lu\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 Ir\n0.500001 0.500001 0.500001 Lu\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ir", "Lu" ], "chemical_system": "Bi-Cu-Ir-Lu", "density": 14.030794809527539, "density_atomic": 0.05283354552113083, "volume": 75.7094751174743, "volume_molar": 11.398327900578694, "formula_full": "Lu1 Cu1 Bi1 Ir1", "formula_reduced": "LuCuBiIr", "formula_anonymous": "ABCD", "formation_energy": -0.1063989575, "spacegroup": 216 }, { "id": "oqmd-999482", "created_at": "2022-09-04T15:26:15.559852Z", "updated_at": "2022-09-04T15:26:15.559878Z", "structure_string": "Lu1 Co1 Cu1 Bi1\n1.0\n0.000000 3.295019 3.295019\n3.295019 0.000000 3.295019\n3.295019 3.295019 0.000000\nBi Co Cu Lu\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Lu\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Co", "Cu", "Lu" ], "chemical_system": "Bi-Co-Cu-Lu", "density": 11.75335453846298, "density_atomic": 0.055905717555981886, "volume": 71.54903245798697, "volume_molar": 10.771958617595157, "formula_full": "Lu1 Co1 Cu1 Bi1", "formula_reduced": "LuCoCuBi", "formula_anonymous": "ABCD", "formation_energy": -0.0707677924999999, "spacegroup": 216 }, { "id": "oqmd-999481", "created_at": "2022-09-04T15:26:15.939901Z", "updated_at": "2022-09-04T15:26:15.939924Z", "structure_string": "Lu1 Co1 Cu1 Bi1\n1.0\n0.000000 3.385699 3.385699\n3.385699 0.000000 3.385699\n3.385699 3.385699 0.000000\nBi Co Cu Lu\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Lu\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Co", "Cu", "Lu" ], "chemical_system": "Bi-Co-Cu-Lu", "density": 10.834043391044709, "density_atomic": 0.051532944728833546, "volume": 77.62024896981936, "volume_molar": 11.686001628062428, "formula_full": "Lu1 Co1 Cu1 Bi1", "formula_reduced": "LuCoCuBi", "formula_anonymous": "ABCD", "formation_energy": 0.21124457, "spacegroup": 216 }, { "id": "oqmd-999480", "created_at": "2022-09-04T15:26:16.416449Z", "updated_at": "2022-09-04T15:26:16.416471Z", "structure_string": "Lu1 Co1 Cu1 Bi1\n1.0\n0.000000 3.325860 3.325860\n3.325860 0.000000 3.325860\n3.325860 3.325860 0.000000\nBi Co Cu Lu\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Co\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Lu\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Co", "Cu", "Lu" ], "chemical_system": "Bi-Co-Cu-Lu", "density": 11.429407433655948, "density_atomic": 0.054364838712826664, "volume": 73.57696803129213, "volume_molar": 11.077271454461533, "formula_full": "Lu1 Co1 Cu1 Bi1", "formula_reduced": "LuCoCuBi", "formula_anonymous": "ABCD", "formation_energy": 0.0960792550000003, "spacegroup": 216 }, { "id": "oqmd-999479", "created_at": "2022-09-04T15:26:15.911686Z", "updated_at": "2022-09-04T15:26:15.911727Z", "structure_string": "Lu1 Cu1 Bi1 Rh1\n1.0\n0.000000 3.394033 3.394033\n3.394033 0.000000 3.394033\n3.394033 3.394033 0.000000\nBi Cu Lu Rh\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Lu\n0.000000 0.000000 0.000000 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Lu", 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"formula_reduced": "LuCuBiRh", "formula_anonymous": "ABCD", "formation_energy": -0.241163515, "spacegroup": 216 }, { "id": "oqmd-999477", "created_at": "2022-09-04T15:26:16.881065Z", "updated_at": "2022-09-04T15:26:16.881082Z", "structure_string": "Tl1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.409806 3.409806\n3.409806 0.000000 3.409806\n3.409806 3.409806 0.000000\nBi Cu Ir Tl\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 Ir\n0.499999 0.499999 0.499999 Tl\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ir", "Tl" ], "chemical_system": "Bi-Cu-Ir-Tl", "density": 14.013236437979952, "density_atomic": 0.050447655047595345, "volume": 79.29010766161797, "volume_molar": 11.937404730345445, "formula_full": "Tl1 Cu1 Bi1 Ir1", "formula_reduced": "TlCuBiIr", "formula_anonymous": "ABCD", "formation_energy": 0.44751164, "spacegroup": 216 }, { "id": "oqmd-999476", "created_at": "2022-09-04T15:26:14.944838Z", "updated_at": "2022-09-04T15:26:14.944864Z", "structure_string": "Tl1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.430701 3.430701\n3.430701 0.000000 3.430701\n3.430701 3.430701 0.000000\nBi Cu Ir Tl\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Tl\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ir", "Tl" ], "chemical_system": "Bi-Cu-Ir-Tl", "density": 13.758746031580273, "density_atomic": 0.049531489514258786, "volume": 80.75670728312153, "volume_molar": 12.158206464326877, "formula_full": "Tl1 Cu1 Bi1 Ir1", "formula_reduced": "TlCuBiIr", "formula_anonymous": "ABCD", "formation_energy": 0.653020665, "spacegroup": 216 } ] }{ "count": 1013513, "next": "