Oqmd Structure
GET /third-parties/OqmdStructure/?format=api&ordering=-id&page=30
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"oqmd-999652", "created_at": "2022-09-04T15:26:16.551892Z", "updated_at": "2022-09-04T15:26:16.551911Z", "structure_string": "Ca1 Cu1 Te1 Rh1\n1.0\n0.000000 3.364148 3.364148\n3.364148 0.000000 3.364148\n3.364148 3.364148 0.000000\nCa Cu Rh Te\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Rh\n0.249999 0.249999 0.249999 Te\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Rh", "Te" ], "chemical_system": "Ca-Cu-Rh-Te", "density": 7.286326730824736, "density_atomic": 0.0525296751248135, "volume": 76.14743457856483, "volume_molar": 11.46426423862522, "formula_full": "Ca1 Cu1 Te1 Rh1", "formula_reduced": "CaCuTeRh", "formula_anonymous": "ABCD", "formation_energy": -0.281579943333333, "spacegroup": 216 }, { "id": "oqmd-999651", "created_at": "2022-09-04T15:26:15.604560Z", "updated_at": "2022-09-04T15:26:15.604593Z", "structure_string": "Ca1 Cu1 Te1 Rh1\n1.0\n0.000000 3.400986 3.400986\n3.400986 0.000000 3.400986\n3.400986 3.400986 0.000000\nCa Cu Rh Te\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Te\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Rh", "Te" ], "chemical_system": "Ca-Cu-Rh-Te", "density": 7.052115069222517, "density_atomic": 0.05084116142663424, "volume": 78.67640879471557, "volume_molar": 11.845010206326979, "formula_full": "Ca1 Cu1 Te1 Rh1", "formula_reduced": "CaCuTeRh", "formula_anonymous": "ABCD", "formation_energy": -0.0688940208333335, "spacegroup": 216 }, { "id": "oqmd-999650", "created_at": "2022-09-04T15:26:16.862737Z", "updated_at": "2022-09-04T15:26:16.862754Z", "structure_string": "Ca1 Cu1 Sb1 Pd1\n1.0\n0.000000 3.391934 3.391934\n3.391934 0.000000 3.391934\n3.391934 3.391934 0.000000\nCa Cu Pd Sb\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Pd\n0.249999 0.249999 0.249999 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "Sb" ], "chemical_system": "Ca-Cu-Pd-Sb", "density": 7.059249625857138, "density_atomic": 0.05124928562835915, "volume": 78.04986842170874, "volume_molar": 11.750682348375227, "formula_full": "Ca1 Cu1 Sb1 Pd1", "formula_reduced": "CaCuSbPd", "formula_anonymous": "ABCD", "formation_energy": -0.37188345375, "spacegroup": 216 }, { "id": "oqmd-999649", "created_at": "2022-09-04T15:26:16.591513Z", "updated_at": "2022-09-04T15:26:16.591538Z", "structure_string": "Ca1 Cu1 Sb1 Pd1\n1.0\n0.000000 3.374052 3.374052\n3.374052 0.000000 3.374052\n3.374052 3.374052 0.000000\nCa Cu Pd Sb\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ca\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Pd\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "Sb" ], "chemical_system": "Ca-Cu-Pd-Sb", "density": 7.172084611932355, "density_atomic": 0.052068453774653245, "volume": 76.82194707205204, "volume_molar": 11.565814468129181, "formula_full": "Ca1 Cu1 Sb1 Pd1", "formula_reduced": "CaCuSbPd", "formula_anonymous": "ABCD", "formation_energy": -0.48644631375, "spacegroup": 216 }, { "id": "oqmd-999648", "created_at": "2022-09-04T15:26:16.197935Z", "updated_at": "2022-09-04T15:26:16.197959Z", "structure_string": "Ca1 Cu1 Sb1 Pd1\n1.0\n0.000000 3.412239 3.412239\n3.412239 0.000000 3.412239\n3.412239 3.412239 0.000000\nCa Cu Pd Sb\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Sb\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "Sb" ], "chemical_system": "Ca-Cu-Pd-Sb", "density": 6.9339769214335165, "density_atomic": 0.05033982117381895, "volume": 79.45995648630442, "volume_molar": 11.962976068600007, "formula_full": "Ca1 Cu1 Sb1 Pd1", "formula_reduced": "CaCuSbPd", "formula_anonymous": "ABCD", "formation_energy": -0.30168731375, "spacegroup": 216 }, { "id": "oqmd-999647", "created_at": "2022-09-04T15:26:16.012146Z", "updated_at": "2022-09-04T15:26:16.012165Z", "structure_string": "Ca1 V1 Cu1 Pd1\n1.0\n0.000000 3.191488 3.191488\n3.191488 0.000000 3.191488\n3.191488 3.191488 0.000000\nCa Cu Pd V\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 Pd\n0.250001 0.250001 0.250001 V\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "V" ], "chemical_system": "Ca-Cu-Pd-V", "density": 6.665854557385268, "density_atomic": 0.06152481949247609, "volume": 65.01441260610545, "volume_molar": 9.788148603567137, "formula_full": "Ca1 V1 Cu1 Pd1", "formula_reduced": "CaVCuPd", "formula_anonymous": "ABCD", "formation_energy": 0.245809925000001, "spacegroup": 216 }, { "id": "oqmd-999646", "created_at": "2022-09-04T15:26:16.044384Z", "updated_at": "2022-09-04T15:26:16.044403Z", "structure_string": "Ca1 V1 Cu1 Pd1\n1.0\n0.000000 3.297936 3.297936\n3.297936 0.000000 3.297936\n3.297936 3.297936 0.000000\nCa Cu Pd V\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Ca\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "V" ], "chemical_system": "Ca-Cu-Pd-V", "density": 6.040999651610087, "density_atomic": 0.05575750414590692, "volume": 71.73922257231513, "volume_molar": 10.800592408586276, "formula_full": "Ca1 V1 Cu1 Pd1", "formula_reduced": "CaVCuPd", "formula_anonymous": "ABCD", "formation_energy": 0.0934474950000004, "spacegroup": 216 }, { "id": "oqmd-999645", "created_at": "2022-09-04T15:26:16.259134Z", "updated_at": "2022-09-04T15:26:16.259162Z", "structure_string": "Ca1 V1 Cu1 Pd1\n1.0\n0.000000 3.287791 3.287791\n3.287791 0.000000 3.287791\n3.287791 3.287791 0.000000\nCa Cu Pd V\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 Pd\n0.000000 0.000000 0.000000 V\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "V" ], "chemical_system": "Ca-Cu-Pd-V", "density": 6.09709376780019, "density_atomic": 0.05627524427111897, "volume": 71.0792116819445, "volume_molar": 10.701225446462653, "formula_full": "Ca1 V1 Cu1 Pd1", "formula_reduced": "CaVCuPd", "formula_anonymous": "ABCD", "formation_energy": 0.243623615000001, "spacegroup": 216 }, { "id": "oqmd-999644", "created_at": "2022-09-04T15:26:17.343250Z", "updated_at": "2022-09-04T15:26:17.343266Z", "structure_string": "Ca1 Ta1 Cu1 Pd1\n1.0\n0.000000 3.237731 3.237731\n3.237731 0.000000 3.237731\n3.237731 3.237731 0.000000\nCa Cu Pd Ta\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.749999 0.749999 0.749999 Cu\n0.500001 0.500001 0.500001 Pd\n0.249999 0.249999 0.249999 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "Ta" ], "chemical_system": "Ca-Cu-Pd-Ta", "density": 9.564550169843683, "density_atomic": 0.05892610091931891, "volume": 67.88163373437459, "volume_molar": 10.219818834179208, "formula_full": "Ca1 Ta1 Cu1 Pd1", "formula_reduced": "CaTaCuPd", "formula_anonymous": "ABCD", "formation_energy": 0.276714662499999, "spacegroup": 216 }, { "id": "oqmd-999643", "created_at": "2022-09-04T15:26:17.046529Z", "updated_at": "2022-09-04T15:26:17.046560Z", "structure_string": "Ca1 Ta1 Cu1 Pd1\n1.0\n0.000000 3.309445 3.309445\n3.309445 0.000000 3.309445\n3.309445 3.309445 0.000000\nCa Cu Pd Ta\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Ca\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "Ta" ], "chemical_system": "Ca-Cu-Pd-Ta", "density": 8.956149539000393, "density_atomic": 0.05517781413783666, "volume": 72.4929043040346, "volume_molar": 10.914061845502653, "formula_full": "Ca1 Ta1 Cu1 Pd1", "formula_reduced": "CaTaCuPd", "formula_anonymous": "ABCD", "formation_energy": 0.131873307499999, "spacegroup": 216 }, { "id": "oqmd-999642", "created_at": "2022-09-04T15:26:16.610316Z", "updated_at": "2022-09-04T15:26:16.610350Z", "structure_string": "Ca1 Ta1 Cu1 Pd1\n1.0\n0.000000 3.244851 3.244851\n3.244851 0.000000 3.244851\n3.244851 3.244851 0.000000\nCa Cu Pd Ta\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Ca\n0.750001 0.750001 0.750001 Cu\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Ta\n", "nsites": 4, "nelements": 4, "elements": [ "Ca", "Cu", "Pd", "Ta" ], "chemical_system": "Ca-Cu-Pd-Ta", "density": 9.501727304391569, "density_atomic": 0.05853905642230284, "volume": 68.33044883989686, "volume_molar": 10.28738952769594, "formula_full": "Ca1 Ta1 Cu1 Pd1", "formula_reduced": "CaTaCuPd", "formula_anonymous": "ABCD", "formation_energy": 0.445553492499999, "spacegroup": 216 } ] }{ "count": 1013513, "next": "