Oqmd Structure
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"created_at": "2022-09-04T15:26:16.584206Z", "updated_at": "2022-09-04T15:26:16.584220Z", "structure_string": "Ca1 Cu1 Ni1 Sb1\n1.0\n0.000000 3.275020 3.275020\n3.275020 0.000000 3.275020\n3.275020 3.275020 0.000000\nCa Cu Ni Sb\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ni", "Sb" ], "chemical_system": "Ca-Cu-Ni-Sb", "density": 6.714503688906449, "density_atomic": 0.05693615382583421, "volume": 70.25413083286001, "volume_molar": 10.577006621173476, "formula_full": "Ca1 Cu1 Ni1 Sb1", "formula_reduced": "CaCuNiSb", "formula_anonymous": "ABCD", "formation_energy": -0.24378300875, "spacegroup": 216 }, { "id": "oqmd-999615", "created_at": "2022-09-04T15:26:16.616621Z", "updated_at": "2022-09-04T15:26:16.616650Z", "structure_string": "Ca1 Cu1 Ni1 Sb1\n1.0\n0.000000 3.346367 3.346367\n3.346367 0.000000 3.346367\n3.346367 3.346367 0.000000\nCa Cu Ni Sb\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Ni\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ni", "Sb" ], "chemical_system": "Ca-Cu-Ni-Sb", "density": 6.294120885903232, "density_atomic": 0.05337148530430651, "volume": 74.94638714274723, "volume_molar": 11.283442320676949, "formula_full": "Ca1 Cu1 Ni1 Sb1", "formula_reduced": "CaCuNiSb", "formula_anonymous": "ABCD", "formation_energy": 0.0136237912499997, "spacegroup": 216 }, { "id": "oqmd-999614", "created_at": "2022-09-04T15:26:15.889972Z", "updated_at": "2022-09-04T15:26:15.889995Z", "structure_string": "Ca1 V1 Cu1 Ni1\n1.0\n0.000000 3.106818 3.106818\n3.106818 0.000000 3.106818\n3.106818 3.106818 0.000000\nCa Cu Ni V\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Ni\n0.250000 0.250000 0.250000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ni", "V" ], "chemical_system": "Ca-Cu-Ni-V", "density": 5.904441561293848, "density_atomic": 0.06669335385973311, "volume": 59.97599113717756, "volume_molar": 9.029596521214893, "formula_full": "Ca1 V1 Cu1 Ni1", "formula_reduced": "CaVCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.458531497500001, "spacegroup": 216 }, { "id": "oqmd-999613", "created_at": "2022-09-04T15:26:16.663181Z", "updated_at": "2022-09-04T15:26:16.663212Z", "structure_string": "Ca1 V1 Cu1 Ni1\n1.0\n0.000000 3.181400 3.181400\n3.181400 0.000000 3.181400\n3.181400 3.181400 0.000000\nCa Cu Ni V\n1 1 1 1\ndirect\n0.499998 0.499998 0.499998 Ca\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ni", "V" ], "chemical_system": "Ca-Cu-Ni-V", "density": 5.498844471725178, "density_atomic": 0.06211195019297322, "volume": 64.39984556228801, "volume_molar": 9.695623372458993, "formula_full": "Ca1 V1 Cu1 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"2022-09-04T15:26:16.190619Z", "structure_string": "Ca1 Ta1 Cu1 Ni1\n1.0\n0.000000 3.175245 3.175245\n3.175245 0.000000 3.175245\n3.175245 3.175245 0.000000\nCa Cu Ni Ta\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Ni\n0.250001 0.250001 0.250001 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ni", "Ta" ], "chemical_system": "Ca-Cu-Ni-Ta", "density": 8.902608139225054, "density_atomic": 0.0624738503865726, "volume": 64.02678841225566, "volume_molar": 9.63945830573351, "formula_full": "Ca1 Ta1 Cu1 Ni1", "formula_reduced": "CaTaCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.488775665, "spacegroup": 216 }, { "id": "oqmd-999610", "created_at": "2022-09-04T15:26:16.458078Z", "updated_at": "2022-09-04T15:26:16.458100Z", "structure_string": "Ca1 Ta1 Cu1 Ni1\n1.0\n0.000000 3.216788 3.216788\n3.216788 0.000000 3.216788\n3.216788 3.216788 0.000000\nCa Cu Ni Ta\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.750001 0.750001 0.750001 Cu\n0.249999 0.249999 0.249999 Ni\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ni", "Ta" ], "chemical_system": "Ca-Cu-Ni-Ta", "density": 8.562126898904264, "density_atomic": 0.06008453101694715, "volume": 66.57287545228205, "volume_molar": 10.02278066928978, "formula_full": "Ca1 Ta1 Cu1 Ni1", "formula_reduced": "CaTaCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.2969543925, "spacegroup": 216 }, { "id": "oqmd-999609", "created_at": "2022-09-04T15:26:15.949586Z", "updated_at": "2022-09-04T15:26:15.949614Z", "structure_string": "Ca1 Ta1 Cu1 Ni1\n1.0\n0.000000 3.165772 3.165772\n3.165772 0.000000 3.165772\n3.165772 3.165772 0.000000\nCa Cu Ni Ta\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Ca\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ni", "Ta" ], "chemical_system": "Ca-Cu-Ni-Ta", "density": 8.98276585184764, "density_atomic": 0.06303635531404986, "volume": 63.45544535485636, "volume_molar": 9.55344059788583, "formula_full": "Ca1 Ta1 Cu1 Ni1", "formula_reduced": "CaTaCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.65827907, "spacegroup": 216 }, { "id": "oqmd-999608", "created_at": "2022-09-04T15:26:17.089498Z", "updated_at": "2022-09-04T15:26:17.089519Z", "structure_string": "Ca1 Nb1 Cu1 Ni1\n1.0\n0.000000 3.200609 3.200609\n3.200609 0.000000 3.200609\n3.200609 3.200609 0.000000\nCa Cu Nb Ni\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Cu\n0.249999 0.249999 0.249999 Nb\n0.500000 0.500000 0.500000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Nb", "Ni" ], "chemical_system": "Ca-Cu-Nb-Ni", "density": 6.4631222687020164, "density_atomic": 0.06100032225001078, "volume": 65.57342408136694, "volume_molar": 9.872309748329133, "formula_full": "Ca1 Nb1 Cu1 Ni1", "formula_reduced": "CaNbCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.400920599999999, "spacegroup": 216 }, { "id": "oqmd-999607", "created_at": "2022-09-04T15:26:16.841517Z", "updated_at": "2022-09-04T15:26:16.841541Z", "structure_string": "Ca1 Nb1 Cu1 Ni1\n1.0\n0.000000 3.233418 3.233418\n3.233418 0.000000 3.233418\n3.233418 3.233418 0.000000\nCa Cu Nb Ni\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Nb", "Ni" ], "chemical_system": "Ca-Cu-Nb-Ni", "density": 6.268370865123904, "density_atomic": 0.059162217092317, "volume": 67.61071840425421, "volume_molar": 10.179031577878538, "formula_full": "Ca1 Nb1 Cu1 Ni1", "formula_reduced": "CaNbCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.26054395, "spacegroup": 216 }, { "id": "oqmd-999606", "created_at": "2022-09-04T15:26:17.628159Z", "updated_at": "2022-09-04T15:26:17.628190Z", "structure_string": "Ca1 Nb1 Cu1 Ni1\n1.0\n0.000000 3.169924 3.169924\n3.169924 0.000000 3.169924\n3.169924 3.169924 0.000000\nCa Cu Nb Ni\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Nb\n0.499999 0.499999 0.499999 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Nb", "Ni" ], "chemical_system": "Ca-Cu-Nb-Ni", "density": 6.652634877948901, "density_atomic": 0.06278898255286189, "volume": 63.705443811458636, "volume_molar": 9.59107874527187, "formula_full": "Ca1 Nb1 Cu1 Ni1", "formula_reduced": "CaNbCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.557056189999999, "spacegroup": 216 } ] }{ "count": 1013513, "next": "