Oqmd Structure
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"oqmd-999450", "created_at": "2022-09-04T15:26:15.318572Z", "updated_at": "2022-09-04T15:26:15.318605Z", "structure_string": "Nb1 Cu1 Tc1 Bi1\n1.0\n0.000000 3.281056 3.281056\n3.281056 0.000000 3.281056\n3.281056 3.281056 0.000000\nBi Cu Nb Tc\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Bi\n0.749999 0.749999 0.749999 Cu\n0.249999 0.249999 0.249999 Nb\n0.000000 0.000000 0.000000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Nb", "Tc" ], "chemical_system": "Bi-Cu-Nb-Tc", "density": 10.89343691638429, "density_atomic": 0.0566225034779086, "volume": 70.64329117063164, "volume_molar": 10.635596079480223, "formula_full": "Nb1 Cu1 Tc1 Bi1", "formula_reduced": "NbCuTcBi", "formula_anonymous": "ABCD", "formation_energy": 0.5043651925, "spacegroup": 216 }, { "id": "oqmd-999449", "created_at": "2022-09-04T15:26:15.634145Z", "updated_at": "2022-09-04T15:26:15.634171Z", "structure_string": "Nb1 Cu1 Tc1 Bi1\n1.0\n0.000000 3.253618 3.253618\n3.253618 0.000000 3.253618\n3.253618 3.253618 0.000000\nBi Cu Nb Tc\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.749999 0.749999 0.749999 Cu\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Tc\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Nb", "Tc" ], "chemical_system": "Bi-Cu-Nb-Tc", "density": 11.171363031583542, "density_atomic": 0.058067123072740257, "volume": 68.88579609823668, "volume_molar": 10.370999011706001, "formula_full": "Nb1 Cu1 Tc1 Bi1", "formula_reduced": "NbCuTcBi", "formula_anonymous": "ABCD", "formation_energy": 0.4819034575, "spacegroup": 216 }, { "id": "oqmd-999448", "created_at": "2022-09-04T15:26:15.346068Z", "updated_at": "2022-09-04T15:26:15.346092Z", "structure_string": "Nb1 Cu1 Re1 Bi1\n1.0\n0.000000 3.288048 3.288048\n3.288048 0.000000 3.288048\n3.288048 3.288048 0.000000\nBi Cu Nb Re\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Cu\n0.249999 0.249999 0.249999 Nb\n0.000000 0.000000 0.000000 Re\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Nb", "Re" ], "chemical_system": "Bi-Cu-Nb-Re", "density": 12.884282297351303, "density_atomic": 0.056262049566504796, "volume": 71.09588134132552, "volume_molar": 10.703735122342998, "formula_full": "Nb1 Cu1 Re1 Bi1", "formula_reduced": "NbCuReBi", "formula_anonymous": "ABCD", "formation_energy": 0.6604558775, "spacegroup": 216 }, { "id": "oqmd-999447", "created_at": "2022-09-04T15:26:15.378986Z", "updated_at": "2022-09-04T15:26:15.379014Z", "structure_string": "Nb1 Cu1 Re1 Bi1\n1.0\n0.000000 3.255468 3.255468\n3.255468 0.000000 3.255468\n3.255468 3.255468 0.000000\nBi Cu Nb Re\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 Nb\n0.000000 0.000000 0.000000 Re\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Nb", "Re" ], "chemical_system": "Bi-Cu-Nb-Re", "density": 13.27499560987263, "density_atomic": 0.057968185092570325, "volume": 69.00336785794373, "volume_molar": 10.388699853864921, 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"2022-09-04T15:26:15.032340Z", "updated_at": "2022-09-04T15:26:15.032367Z", "structure_string": "La1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.540195 3.540195\n3.540195 0.000000 3.540195\n3.540195 3.540195 0.000000\nBi Cu Ir La\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 Ir\n0.250000 0.250000 0.250000 La\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ir", "La" ], "chemical_system": "Bi-Cu-Ir-La", "density": 11.295928654293762, "density_atomic": 0.04507631888358053, "volume": 88.73839077966585, "volume_molar": 13.359877002275848, "formula_full": "La1 Cu1 Bi1 Ir1", "formula_reduced": "LaCuBiIr", "formula_anonymous": "ABCD", "formation_energy": 0.0802340462500002, "spacegroup": 216 }, { "id": "oqmd-999444", "created_at": "2022-09-04T15:26:15.345679Z", "updated_at": "2022-09-04T15:26:15.345699Z", "structure_string": "La1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.490370 3.490370\n3.490370 0.000000 3.490370\n3.490370 3.490370 0.000000\nBi Cu Ir La\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Bi\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 La\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ir", "La" ], "chemical_system": "Bi-Cu-Ir-La", "density": 11.786614845249469, "density_atomic": 0.04703439846182586, "volume": 85.04414068878731, "volume_molar": 12.803694651028014, "formula_full": "La1 Cu1 Bi1 Ir1", "formula_reduced": "LaCuBiIr", "formula_anonymous": "ABCD", "formation_energy": -0.0656805962499991, "spacegroup": 216 }, { "id": "oqmd-999443", "created_at": "2022-09-04T15:26:15.891564Z", "updated_at": "2022-09-04T15:26:15.891594Z", "structure_string": "La1 Co1 Cu1 Bi1\n1.0\n0.000000 3.437060 3.437060\n3.437060 0.000000 3.437060\n3.437060 3.437060 0.000000\nBi Co Cu La\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 La\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Co", 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"2022-09-04T15:26:15.426019Z", "structure_string": "La1 Cu1 Bi1 Rh1\n1.0\n0.000000 3.493201 3.493201\n3.493201 0.000000 3.493201\n3.493201 3.493201 0.000000\nBi Cu La Rh\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 La\n0.250000 0.250000 0.250000 Rh\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "La", "Rh" ], "chemical_system": "Bi-Cu-La-Rh", "density": 10.018355861714147, "density_atomic": 0.04692013664405767, "volume": 85.25124362583439, "volume_molar": 12.834874726995688, "formula_full": "La1 Cu1 Bi1 Rh1", "formula_reduced": "LaCuBiRh", "formula_anonymous": "ABCD", "formation_energy": -0.37404178375, "spacegroup": 216 } ] }{ "count": 1013513, "next": "