Oqmd Structure
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0.000000\nBi Cu Mn Ta\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Mn", "Ta" ], "chemical_system": "Bi-Cu-Mn-Ta", "density": 11.861590795314683, "density_atomic": 0.056200187067920356, "volume": 71.17414031319552, "volume_molar": 10.715517285951348, "formula_full": "Ta1 Mn1 Cu1 Bi1", "formula_reduced": "TaMnCuBi", "formula_anonymous": "ABCD", "formation_energy": 0.603067000301725, "spacegroup": 216 }, { "id": "oqmd-999531", "created_at": "2022-09-04T15:26:17.484174Z", "updated_at": "2022-09-04T15:26:17.484195Z", "structure_string": "Ta1 Mn1 Cu1 Bi1\n1.0\n0.000000 3.281220 3.281220\n3.281220 0.000000 3.281220\n3.281220 3.281220 0.000000\nBi Cu Mn Ta\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 Mn\n0.500000 0.500000 0.500000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Mn", "Ta" ], "chemical_system": "Bi-Cu-Mn-Ta", "density": 11.948932888718682, "density_atomic": 0.05661401368467967, "volume": 70.65388478334368, "volume_molar": 10.637190985152944, "formula_full": "Ta1 Mn1 Cu1 Bi1", "formula_reduced": "TaMnCuBi", "formula_anonymous": "ABCD", "formation_energy": 0.593313777801725, "spacegroup": 216 }, { "id": "oqmd-999530", "created_at": "2022-09-04T15:26:17.572691Z", "updated_at": "2022-09-04T15:26:17.572712Z", "structure_string": "Cu1 Tc1 Bi1 Sb1\n1.0\n0.000000 3.430373 3.430373\n3.430373 0.000000 3.430373\n3.430373 3.430373 0.000000\nBi Cu Sb Tc\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 Sb\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Sb", "Tc" ], "chemical_system": "Bi-Cu-Sb-Tc", "density": 10.125416663490729, "density_atomic": 0.049545698944568, "volume": 80.7335467095786, "volume_molar": 12.15471955847793, "formula_full": 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"updated_at": "2022-09-04T15:26:15.634943Z", "structure_string": "Cu1 Tc1 Bi1 Sb1\n1.0\n0.000000 3.440208 3.440208\n3.440208 0.000000 3.440208\n3.440208 3.440208 0.000000\nBi Cu Sb Tc\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Bi\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Sb\n0.499999 0.499999 0.499999 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Sb", "Tc" ], "chemical_system": "Bi-Cu-Sb-Tc", "density": 10.038823889661593, "density_atomic": 0.04912198309706289, "volume": 81.42993722578697, "volume_molar": 12.259563601291326, "formula_full": "Cu1 Tc1 Bi1 Sb1", "formula_reduced": "CuTcBiSb", "formula_anonymous": "ABCD", "formation_energy": 0.855807486250001, "spacegroup": 216 }, { "id": "oqmd-999527", "created_at": "2022-09-04T15:26:15.632442Z", "updated_at": "2022-09-04T15:26:15.632467Z", "structure_string": "V1 Cu1 Tc1 Bi1\n1.0\n0.000000 3.190485 3.190485\n3.190485 0.000000 3.190485\n3.190485 3.190485 0.000000\nBi Cu Tc V\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Tc\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Tc", "V" ], "chemical_system": "Bi-Cu-Tc-V", "density": 10.774905842029014, "density_atomic": 0.061582862826676917, "volume": 64.95313495343466, "volume_molar": 9.77892303732149, "formula_full": "V1 Cu1 Tc1 Bi1", "formula_reduced": "VCuTcBi", "formula_anonymous": "ABCD", "formation_energy": 0.46556989, "spacegroup": 216 }, { "id": "oqmd-999526", "created_at": "2022-09-04T15:26:15.354226Z", "updated_at": "2022-09-04T15:26:15.354254Z", "structure_string": "V1 Cu1 Tc1 Bi1\n1.0\n0.000000 3.193864 3.193864\n3.193864 0.000000 3.193864\n3.193864 3.193864 0.000000\nBi Cu Tc V\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750001 0.750001 0.750001 Cu\n0.500001 0.500001 0.500001 Tc\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Tc", "V" ], "chemical_system": "Bi-Cu-Tc-V", 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"structure_string": "In1 Cu1 Bi1 Rh1\n1.0\n0.000000 3.398193 3.398193\n3.398193 0.000000 3.398193\n3.398193 3.398193 0.000000\nBi Cu In Rh\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 In\n0.500000 0.500000 0.500000 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "In", "Rh" ], "chemical_system": "Bi-Cu-In-Rh", "density": 10.3727161301124, "density_atomic": 0.05096662467092496, "volume": 78.482733079279, "volume_molar": 11.815851645823159, "formula_full": "In1 Cu1 Bi1 Rh1", "formula_reduced": "InCuBiRh", "formula_anonymous": "ABCD", "formation_energy": 0.275326333750001, "spacegroup": 216 } ] }{ "count": 1013513, "next": "