Oqmd Structure
GET /third-parties/OqmdStructure/?format=api&ordering=-id&page=25
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"created_at": "2022-09-04T15:26:16.384345Z", "updated_at": "2022-09-04T15:26:16.384360Z", "structure_string": "V1 Cd1 Cu1 Ni1\n1.0\n0.000000 3.029558 3.029558\n3.029558 0.000000 3.029558\n3.029558 3.029558 0.000000\nCd Cu Ni V\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Cd", "Cu", "Ni", "V" ], "chemical_system": "Cd-Cu-Ni-V", "density": 8.52760692304184, "density_atomic": 0.07192703890307177, "volume": 55.61190980474483, "volume_molar": 8.372568719414938, "formula_full": "V1 Cd1 Cu1 Ni1", "formula_reduced": "VCdCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.3254937925, "spacegroup": 216 }, { "id": "oqmd-999710", "created_at": "2022-09-04T15:26:16.854569Z", "updated_at": "2022-09-04T15:26:16.854592Z", "structure_string": "Ta1 Cd1 Cu1 Ni1\n1.0\n0.000000 3.114463 3.114463\n3.114463 0.000000 3.114463\n3.114463 3.114463 0.000000\nCd Cu Ni Ta\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.749999 0.749999 Cu\n0.499999 0.499999 0.499999 Ni\n0.250000 0.250000 0.250000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Cd", "Cu", "Ni", "Ta" ], "chemical_system": "Cd-Cu-Ni-Ta", "density": 11.422030510624252, "density_atomic": 0.066203426562559, "volume": 60.41983334835691, "volume_molar": 9.096418527988686, "formula_full": "Ta1 Cd1 Cu1 Ni1", "formula_reduced": "TaCdCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.279567879999999, "spacegroup": 216 }, { "id": "oqmd-999709", "created_at": "2022-09-04T15:26:18.027376Z", "updated_at": "2022-09-04T15:26:18.027403Z", "structure_string": "Ta1 Cd1 Cu1 Ni1\n1.0\n0.000000 3.089920 3.089920\n3.089920 0.000000 3.089920\n3.089920 3.089920 0.000000\nCd Cu Ni Ta\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Cd\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Cd", "Cu", "Ni", "Ta" ], "chemical_system": "Cd-Cu-Ni-Ta", "density": 11.696371047468835, "density_atomic": 0.06779353644426783, "volume": 59.002675030654984, "volume_molar": 8.883060356278541, "formula_full": "Ta1 Cd1 Cu1 Ni1", "formula_reduced": "TaCdCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.0613127874999995, "spacegroup": 216 }, { "id": "oqmd-999708", "created_at": "2022-09-04T15:26:17.997382Z", "updated_at": "2022-09-04T15:26:17.997398Z", "structure_string": "Ta1 Cd1 Cu1 Ni1\n1.0\n0.000000 3.109928 3.109928\n3.109928 0.000000 3.109928\n3.109928 3.109928 0.000000\nCd Cu Ni Ta\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 Cd\n0.750000 0.750000 0.750000 Cu\n0.499999 0.499999 0.499999 Ni\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Cd", "Cu", "Ni", "Ta" ], "chemical_system": "Cd-Cu-Ni-Ta", "density": 11.472071360410895, "density_atomic": 0.06649346918859617, "volume": 60.15628374953269, "volume_molar": 9.056740208454661, "formula_full": "Ta1 Cd1 Cu1 Ni1", "formula_reduced": "TaCdCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.355093042499999, "spacegroup": 216 }, { "id": "oqmd-999707", "created_at": "2022-09-04T15:26:16.403376Z", "updated_at": "2022-09-04T15:26:16.403398Z", "structure_string": "Nb1 Cd1 Cu1 Ni1\n1.0\n0.000000 3.121387 3.121387\n3.121387 0.000000 3.121387\n3.121387 3.121387 0.000000\nCd Cu Nb Ni\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750001 0.750001 0.750001 Cu\n0.250001 0.250001 0.250001 Nb\n0.500000 0.500000 0.500000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Cd", "Cu", "Nb", "Ni" ], "chemical_system": "Cd-Cu-Nb-Ni", "density": 8.9425801876769, "density_atomic": 0.06576383693402789, "volume": 60.82370169509221, "volume_molar": 9.157222328802398, "formula_full": "Nb1 Cd1 Cu1 Ni1", "formula_reduced": "NbCdCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.2190122125, "spacegroup": 216 }, { "id": "oqmd-999706", "created_at": "2022-09-04T15:26:16.978544Z", "updated_at": "2022-09-04T15:26:16.978569Z", "structure_string": "Nb1 Cd1 Cu1 Ni1\n1.0\n0.000000 3.100840 3.100840\n3.100840 0.000000 3.100840\n3.100840 3.100840 0.000000\nCd Cu Nb Ni\n1 1 1 1\ndirect\n0.499998 0.499998 0.499998 Cd\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Cd", "Cu", "Nb", "Ni" ], "chemical_system": "Cd-Cu-Nb-Ni", "density": 9.121528552817127, "density_atomic": 0.06707982525705238, "volume": 59.630447525345396, "volume_molar": 8.977573714485592, "formula_full": "Nb1 Cd1 Cu1 Ni1", "formula_reduced": "NbCdCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.0288120075, "spacegroup": 216 }, { "id": "oqmd-999705", "created_at": "2022-09-04T15:26:17.023947Z", "updated_at": "2022-09-04T15:26:17.023966Z", "structure_string": "Nb1 Cd1 Cu1 Ni1\n1.0\n0.000000 3.116341 3.116341\n3.116341 0.000000 3.116341\n3.116341 3.116341 0.000000\nCd Cu Nb Ni\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Cd\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Ni\n", "nsites": 4, "nelements": 4, "elements": [ "Cd", "Cu", "Nb", "Ni" ], "chemical_system": "Cd-Cu-Nb-Ni", "density": 8.986090218732523, "density_atomic": 0.0660838101998287, "volume": 60.52919751304486, "volume_molar": 9.112883687834954, "formula_full": "Nb1 Cd1 Cu1 Ni1", "formula_reduced": "NbCdCuNi", "formula_anonymous": "ABCD", "formation_energy": 0.289712724999999, "spacegroup": 216 }, { "id": "oqmd-999704", "created_at": "2022-09-04T15:26:17.074895Z", "updated_at": "2022-09-04T15:26:17.074928Z", "structure_string": "Ca1 Cr1 Cu1 Ir1\n1.0\n0.000000 3.213934 3.213934\n3.213934 0.000000 3.213934\n3.213934 3.213934 0.000000\nCa Cr Cu Ir\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.250000 0.250000 0.250000 Cr\n0.750001 0.750001 0.750001 Cu\n0.500001 0.500001 0.500001 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cr", "Cu", "Ir" ], "chemical_system": "Ca-Cr-Cu-Ir", "density": 8.699296661633323, "density_atomic": 0.060244739882500474, "volume": 66.39583817278454, "volume_molar": 9.996127083867242, "formula_full": "Ca1 Cr1 Cu1 Ir1", "formula_reduced": "CaCrCuIr", "formula_anonymous": "ABCD", "formation_energy": 0.25893173, "spacegroup": 216 }, { "id": "oqmd-999703", "created_at": "2022-09-04T15:26:17.512913Z", "updated_at": "2022-09-04T15:26:17.512935Z", "structure_string": "Ca1 Cr1 Cu1 Ir1\n1.0\n0.000000 3.219285 3.219285\n3.219285 0.000000 3.219285\n3.219285 3.219285 0.000000\nCa Cr Cu Ir\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ca\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cr", "Cu", "Ir" ], "chemical_system": "Ca-Cr-Cu-Ir", "density": 8.655989586879555, "density_atomic": 0.05994482788327882, "volume": 66.72802544013595, "volume_molar": 10.046139045933991, "formula_full": "Ca1 Cr1 Cu1 Ir1", "formula_reduced": "CaCrCuIr", "formula_anonymous": "ABCD", "formation_energy": 0.211276414999999, "spacegroup": 216 }, { "id": "oqmd-999702", "created_at": "2022-09-04T15:26:16.740400Z", "updated_at": "2022-09-04T15:26:16.740427Z", "structure_string": "Ca1 Cr1 Cu1 Ir1\n1.0\n0.000000 3.224285 3.224285\n3.224285 0.000000 3.224285\n3.224285 3.224285 0.000000\nCa Cr Cu Ir\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cr", "Cu", "Ir" ], "chemical_system": "Ca-Cr-Cu-Ir", "density": 8.615782656921953, "density_atomic": 0.059666385138884025, "volume": 67.03942246022271, "volume_molar": 10.093020963114165, "formula_full": "Ca1 Cr1 Cu1 Ir1", "formula_reduced": "CaCrCuIr", "formula_anonymous": "ABCD", "formation_energy": 0.3842139325, "spacegroup": 216 }, { "id": "oqmd-999701", "created_at": "2022-09-04T15:26:18.392586Z", "updated_at": "2022-09-04T15:26:18.392620Z", "structure_string": "Ca1 Cu1 Mo1 Ir1\n1.0\n0.000000 3.177684 3.177684\n3.177684 0.000000 3.177684\n3.177684 3.177684 0.000000\nCa Cu Ir Mo\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750001 0.750001 0.750001 Cu\n0.499999 0.499999 0.499999 Ir\n0.250000 0.250000 0.250000 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Ir", "Mo" ], "chemical_system": "Ca-Cu-Ir-Mo", "density": 10.137487937166522, "density_atomic": 0.06233010720940135, "volume": 64.17444440712711, "volume_molar": 9.661688435362857, "formula_full": "Ca1 Cu1 Mo1 Ir1", "formula_reduced": "CaCuMoIr", "formula_anonymous": "ABCD", "formation_energy": 0.205394495, "spacegroup": 216 } ] }{ "count": 1013513, "next": "