Oqmd Structure
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"created_at": "2022-09-04T15:26:27.095050Z", "updated_at": "2022-09-04T15:26:27.095080Z", "structure_string": "La1 V1 Cu1 Rh1\n1.0\n0.000000 3.237899 3.237899\n3.237899 0.000000 3.237899\n3.237899 3.237899 0.000000\nCu La Rh V\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Rh\n0.250000 0.250000 0.250000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Rh", "V" ], "chemical_system": "Cu-La-Rh-V", "density": 8.714513886318365, "density_atomic": 0.05891692916505625, "volume": 67.89220104791897, "volume_molar": 10.22140978041969, "formula_full": "La1 V1 Cu1 Rh1", "formula_reduced": "LaVCuRh", "formula_anonymous": "ABCD", "formation_energy": 0.105353305, "spacegroup": 216 }, { "id": "oqmd-1001179", "created_at": "2022-09-04T15:26:27.333114Z", "updated_at": "2022-09-04T15:26:27.333135Z", "structure_string": "La1 Cu1 Sb1 Rh1\n1.0\n0.000000 3.503098 3.503098\n3.503098 0.000000 3.503098\n3.503098 3.503098 0.000000\nCu La Rh Sb\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 La\n0.500000 0.500000 0.500000 Rh\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Rh", "Sb" ], "chemical_system": "Cu-La-Rh-Sb", "density": 8.249147474772652, "density_atomic": 0.046523580891901305, "volume": 85.97790460915077, "volume_molar": 12.944276095153967, "formula_full": "La1 Cu1 Sb1 Rh1", "formula_reduced": "LaCuSbRh", "formula_anonymous": "ABCD", "formation_energy": -0.15062895125, "spacegroup": 216 }, { "id": "oqmd-1001180", "created_at": "2022-09-04T15:26:25.487431Z", "updated_at": "2022-09-04T15:26:25.487458Z", "structure_string": "La1 Cu1 Sb1 Rh1\n1.0\n0.000000 3.431079 3.431079\n3.431079 0.000000 3.431079\n3.431079 3.431079 0.000000\nCu La Rh Sb\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Rh\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Rh", "Sb" ], "chemical_system": "Cu-La-Rh-Sb", "density": 8.779580708800054, "density_atomic": 0.049515120750595214, "volume": 80.78340392519222, "volume_molar": 12.162225737736103, "formula_full": "La1 Cu1 Sb1 Rh1", "formula_reduced": "LaCuSbRh", "formula_anonymous": "ABCD", "formation_energy": -0.48452308375, "spacegroup": 216 }, { "id": "oqmd-1001181", "created_at": "2022-09-04T15:26:25.479511Z", "updated_at": "2022-09-04T15:26:25.479543Z", "structure_string": "La1 Cu1 Sb1 Rh1\n1.0\n0.000000 3.462533 3.462533\n3.462533 0.000000 3.462533\n3.462533 3.462533 0.000000\nCu La Rh Sb\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 La\n0.500001 0.500001 0.500001 Rh\n0.249999 0.249999 0.249999 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Rh", "Sb" ], "chemical_system": "Cu-La-Rh-Sb", "density": 8.542483826332434, "density_atomic": 0.04817794063296082, "volume": 83.02554960731156, "volume_molar": 12.499788660289823, "formula_full": "La1 Cu1 Sb1 Rh1", "formula_reduced": "LaCuSbRh", "formula_anonymous": "ABCD", "formation_energy": -0.32798829875, "spacegroup": 216 }, { "id": "oqmd-1001182", "created_at": "2022-09-04T15:26:27.641191Z", "updated_at": "2022-09-04T15:26:27.641219Z", "structure_string": "La1 Mn1 Cu1 Tc1\n1.0\n0.000000 3.248618 3.248618\n3.248618 0.000000 3.248618\n3.248618 3.248618 0.000000\nCu La Mn Tc\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Mn", "Tc" ], "chemical_system": "Cu-La-Mn-Tc", "density": 8.60652378999714, "density_atomic": 0.05833565206397571, "volume": 68.56870298823897, "volume_molar": 10.323259528145192, "formula_full": "La1 Mn1 Cu1 Tc1", "formula_reduced": "LaMnCuTc", "formula_anonymous": "ABCD", "formation_energy": 0.525157475301724, "spacegroup": 216 }, { "id": "oqmd-1001183", "created_at": "2022-09-04T15:26:25.480261Z", "updated_at": "2022-09-04T15:26:25.480289Z", "structure_string": "La1 Mn1 Cu1 Tc1\n1.0\n0.000000 3.285951 3.285951\n3.285951 0.000000 3.285951\n3.285951 3.285951 0.000000\nCu La Mn Tc\n1 1 1 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 La\n0.000000 0.000000 0.000000 Mn\n0.249999 0.249999 0.249999 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Mn", "Tc" ], "chemical_system": "Cu-La-Mn-Tc", "density": 8.316497545002193, "density_atomic": 0.05636983281682386, "volume": 70.95994080731387, "volume_molar": 10.683268796572804, "formula_full": "La1 Mn1 Cu1 Tc1", "formula_reduced": "LaMnCuTc", "formula_anonymous": "ABCD", "formation_energy": 0.378955315301725, "spacegroup": 216 }, { "id": "oqmd-1001184", "created_at": "2022-09-04T15:26:26.883419Z", "updated_at": "2022-09-04T15:26:26.883434Z", "structure_string": "La1 Mn1 Cu1 Tc1\n1.0\n0.000000 3.286909 3.286909\n3.286909 0.000000 3.286909\n3.286909 3.286909 0.000000\nCu La Mn Tc\n1 1 1 1\ndirect\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 La\n0.249999 0.249999 0.249999 Mn\n0.500000 0.500000 0.500000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Mn", "Tc" ], "chemical_system": "Cu-La-Mn-Tc", "density": 8.30922790404928, "density_atomic": 0.056320558655082495, "volume": 71.02202278384237, "volume_molar": 10.692615456605646, "formula_full": "La1 Mn1 Cu1 Tc1", "formula_reduced": "LaMnCuTc", "formula_anonymous": "ABCD", "formation_energy": 0.447779367801725, "spacegroup": 216 }, { "id": "oqmd-1001185", "created_at": "2022-09-04T15:26:26.592899Z", "updated_at": "2022-09-04T15:26:26.592920Z", "structure_string": "La1 Cu1 Os1 W1\n1.0\n0.000000 3.245989 3.245989\n3.245989 0.000000 3.245989\n3.245989 3.245989 0.000000\nCu La Os W\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.249999 0.249999 0.249999 La\n0.000000 0.000000 0.000000 Os\n0.500000 0.500000 0.500000 W\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Os", "W" ], "chemical_system": "Cu-La-Os-W", 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"ABCD", "formation_energy": 0.5024858575, "spacegroup": 216 }, { "id": "oqmd-1001187", "created_at": "2022-09-04T15:26:27.421417Z", "updated_at": "2022-09-04T15:26:27.421439Z", "structure_string": "La1 Cu1 Os1 W1\n1.0\n0.000000 3.327465 3.327465\n3.327465 0.000000 3.327465\n3.327465 3.327465 0.000000\nCu La Os W\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 La\n0.250001 0.250001 0.250001 Os\n0.499999 0.499999 0.499999 W\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Os", "W" ], "chemical_system": "Cu-La-Os-W", "density": 12.99254109049295, "density_atomic": 0.05428620814698992, "volume": 73.68354019439454, "volume_molar": 11.093316268644042, "formula_full": "La1 Cu1 Os1 W1", "formula_reduced": "LaCuOsW", "formula_anonymous": "ABCD", "formation_energy": 0.588243255, "spacegroup": 216 }, { "id": "oqmd-1001188", "created_at": "2022-09-04T15:26:26.690115Z", "updated_at": "2022-09-04T15:26:26.690135Z", "structure_string": "La1 Cu1 Mo1 Os1\n1.0\n0.000000 3.245421 3.245421\n3.245421 0.000000 3.245421\n3.245421 3.245421 0.000000\nCu La Mo Os\n1 1 1 1\ndirect\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 La\n0.000000 0.000000 0.000000 Mo\n0.500000 0.500000 0.500000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "Cu", "La", "Mo", "Os" ], "chemical_system": "Cu-La-Mo-Os", "density": 11.868026891900673, "density_atomic": 0.05850821783266296, "volume": 68.3664645441815, "volume_molar": 10.292811818715256, "formula_full": "La1 Cu1 Mo1 Os1", "formula_reduced": "LaCuMoOs", "formula_anonymous": "ABCD", "formation_energy": 0.755459685, "spacegroup": 216 } ] }{ "count": 1013513, "next": "