Oqmd Structure
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"created_at": "2022-09-04T15:26:13.811261Z", "updated_at": "2022-09-04T15:26:13.811292Z", "structure_string": "Cu1 Te1 As1 W1\n1.0\n0.000000 3.300343 3.300343\n3.300343 0.000000 3.300343\n3.300343 3.300343 0.000000\nAs Cu Te W\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 As\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 Te\n0.000000 0.000000 0.000000 W\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Te", "W" ], "chemical_system": "As-Cu-Te-W", "density": 10.391187892690727, "density_atomic": 0.05563559822062723, "volume": 71.8964139495309, "volume_molar": 10.824258123582563, "formula_full": "Cu1 Te1 As1 W1", "formula_reduced": "CuTeAsW", "formula_anonymous": "ABCD", "formation_energy": 0.956367530416667, "spacegroup": 216 }, { "id": "oqmd-998891", "created_at": "2022-09-04T15:26:13.918578Z", "updated_at": "2022-09-04T15:26:13.918592Z", "structure_string": "Cu1 Te1 As1 W1\n1.0\n0.000000 3.287325 3.287325\n3.287325 0.000000 3.287325\n3.287325 3.287325 0.000000\nAs Cu Te W\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 As\n0.749999 0.749999 0.749999 Cu\n0.500001 0.500001 0.500001 Te\n0.000000 0.000000 0.000000 W\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Te", "W" ], "chemical_system": "As-Cu-Te-W", "density": 10.515126546230755, "density_atomic": 0.056299179824921844, "volume": 71.04899240875491, "volume_molar": 10.69667582854234, "formula_full": "Cu1 Te1 As1 W1", "formula_reduced": "CuTeAsW", "formula_anonymous": "ABCD", "formation_energy": 0.954614047916667, "spacegroup": 216 }, { "id": "oqmd-998890", "created_at": "2022-09-04T15:26:13.512848Z", "updated_at": "2022-09-04T15:26:13.512872Z", "structure_string": "Ti1 Cu1 As1 Ru1\n1.0\n0.000000 3.062585 3.062585\n3.062585 0.000000 3.062585\n3.062585 3.062585 0.000000\nAs Cu Ru Ti\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 As\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ru\n0.250001 0.250001 0.250001 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ru", "Ti" ], "chemical_system": "As-Cu-Ru-Ti", "density": 8.307079435833, "density_atomic": 0.06962505357864943, "volume": 57.4505841561981, "volume_molar": 8.649387613321268, "formula_full": "Ti1 Cu1 As1 Ru1", "formula_reduced": "TiCuAsRu", "formula_anonymous": "ABCD", "formation_energy": -0.106225919696566, "spacegroup": 216 }, { "id": "oqmd-998889", "created_at": "2022-09-04T15:26:14.540722Z", "updated_at": "2022-09-04T15:26:14.540743Z", "structure_string": "Ti1 Cu1 As1 Ru1\n1.0\n0.000000 3.035629 3.035629\n3.035629 0.000000 3.035629\n3.035629 3.035629 0.000000\nAs Cu Ru Ti\n1 1 1 1\ndirect\n0.250001 0.250001 0.250001 As\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ru\n0.500000 0.500000 0.500000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ru", "Ti" ], "chemical_system": "As-Cu-Ru-Ti", "density": 8.530347776723511, "density_atomic": 0.07149635748479284, "volume": 55.946906118270334, "volume_molar": 8.42300359326823, "formula_full": "Ti1 Cu1 As1 Ru1", "formula_reduced": "TiCuAsRu", "formula_anonymous": "ABCD", "formation_energy": -0.270958569696567, "spacegroup": 216 }, { "id": "oqmd-998888", "created_at": "2022-09-04T15:26:14.493935Z", "updated_at": "2022-09-04T15:26:14.493960Z", "structure_string": "Ti1 Cu1 As1 Os1\n1.0\n0.000000 3.078323 3.078323\n3.078323 0.000000 3.078323\n3.078323 3.078323 0.000000\nAs Cu Os Ti\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Os", "Ti" ], "chemical_system": "As-Cu-Os-Ti", "density": 10.71805621878281, "density_atomic": 0.06856262457534142, "volume": 58.34082380560738, "volume_molar": 8.783416325293162, "formula_full": "Ti1 Cu1 As1 Os1", "formula_reduced": "TiCuAsOs", "formula_anonymous": "ABCD", "formation_energy": 0.074738797803434, "spacegroup": 216 }, { "id": "oqmd-998887", "created_at": "2022-09-04T15:26:14.023670Z", "updated_at": "2022-09-04T15:26:14.023681Z", "structure_string": "Ti1 Cu1 As1 Os1\n1.0\n0.000000 3.041656 3.041656\n3.041656 0.000000 3.041656\n3.041656 3.041656 0.000000\nAs Cu Os Ti\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 As\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Os\n0.500001 0.500001 0.500001 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Os", "Ti" ], "chemical_system": "As-Cu-Os-Ti", "density": 11.110364473843742, "density_atomic": 0.0710721918943123, "volume": 56.28080256689126, "volume_molar": 8.473272878589713, "formula_full": "Ti1 Cu1 As1 Os1", "formula_reduced": "TiCuAsOs", "formula_anonymous": "ABCD", "formation_energy": -0.0932969796965661, "spacegroup": 216 }, { "id": "oqmd-998886", "created_at": "2022-09-04T15:26:14.697503Z", "updated_at": "2022-09-04T15:26:14.697530Z", "structure_string": "Ti1 Fe1 Cu1 As1\n1.0\n0.000000 3.014772 3.014772\n3.014772 0.000000 3.014772\n3.014772 3.014772 0.000000\nAs Cu Fe Ti\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Fe\n0.250001 0.250001 0.250001 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Fe", "Ti" ], "chemical_system": "As-Cu-Fe-Ti", "density": 7.338262451552563, "density_atomic": 0.07299053996677515, "volume": 54.801622262566845, "volume_molar": 8.25057707853818, "formula_full": "Ti1 Fe1 Cu1 As1", "formula_reduced": "TiFeCuAs", "formula_anonymous": "ABCD", "formation_energy": -0.0675954971965673, "spacegroup": 216 }, { "id": "oqmd-998885", "created_at": "2022-09-04T15:26:14.567362Z", "updated_at": "2022-09-04T15:26:14.567384Z", "structure_string": "Ti1 Fe1 Cu1 As1\n1.0\n0.000000 2.993883 2.993883\n2.993883 0.000000 2.993883\n2.993883 2.993883 0.000000\nAs Cu Fe Ti\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 As\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Fe\n0.499999 0.499999 0.499999 Ti\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Fe", "Ti" ], "chemical_system": "As-Cu-Fe-Ti", "density": 7.492938820308429, "density_atomic": 0.07452903927095335, "volume": 53.67035506063398, "volume_molar": 8.080260820357905, "formula_full": "Ti1 Fe1 Cu1 As1", "formula_reduced": "TiFeCuAs", "formula_anonymous": "ABCD", "formation_energy": -0.141918087196567, "spacegroup": 216 }, { "id": "oqmd-998884", "created_at": "2022-09-04T15:26:14.313370Z", "updated_at": "2022-09-04T15:26:14.313391Z", "structure_string": "Cd1 Cu1 As1 Pd1\n1.0\n0.000000 3.211773 3.211773\n3.211773 0.000000 3.211773\n3.211773 3.211773 0.000000\nAs Cd Cu Pd\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cd", "Cu", "Pd" ], "chemical_system": "As-Cd-Cu-Pd", "density": 8.953975211853969, "density_atomic": 0.060366426407458346, "volume": 66.26199757131549, "volume_molar": 9.975976910331001, "formula_full": "Cd1 Cu1 As1 Pd1", "formula_reduced": "CdCuAsPd", "formula_anonymous": "ABCD", "formation_energy": -0.0211953712500002, "spacegroup": 216 }, { "id": "oqmd-998883", "created_at": "2022-09-04T15:26:13.384907Z", "updated_at": "2022-09-04T15:26:13.384924Z", "structure_string": "Cd1 Cu1 As1 Pd1\n1.0\n0.000000 3.219586 3.219586\n3.219586 0.000000 3.219586\n3.219586 3.219586 0.000000\nAs Cd Cu Pd\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 As\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cd", "Cu", "Pd" ], "chemical_system": "As-Cd-Cu-Pd", "density": 8.888947180909128, "density_atomic": 0.059928016678642386, "volume": 66.7467442056288, "volume_molar": 10.048957221950277, "formula_full": "Cd1 Cu1 As1 Pd1", "formula_reduced": "CdCuAsPd", "formula_anonymous": "ABCD", "formation_energy": 0.0517082737500001, "spacegroup": 216 }, { "id": "oqmd-998882", "created_at": "2022-09-04T15:26:13.850073Z", "updated_at": "2022-09-04T15:26:13.850104Z", "structure_string": "Ca1 Cu1 As1 Pd1\n1.0\n0.000000 3.305041 3.305041\n3.305041 0.000000 3.305041\n3.305041 3.305041 0.000000\nAs Ca Cu Pd\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.250000 0.250000 0.250000 Ca\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Pd\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Ca", "Cu", "Pd" ], "chemical_system": "As-Ca-Cu-Pd", "density": 6.553615900594233, "density_atomic": 0.05539868314490103, "volume": 72.20388234748438, "volume_molar": 10.870548572875757, "formula_full": "Ca1 Cu1 As1 Pd1", "formula_reduced": "CaCuAsPd", "formula_anonymous": "ABCD", "formation_energy": -0.33681667625, "spacegroup": 216 } ] }{ "count": 1013513, "next": "