Oqmd Structure
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"created_at": "2022-09-04T15:26:14.361347Z", "updated_at": "2022-09-04T15:26:14.361373Z", "structure_string": "Ga1 Co1 Cu1 As1\n1.0\n0.000000 3.035866 3.035866\n3.035866 0.000000 3.035866\n3.035866 3.035866 0.000000\nAs Co Cu Ga\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 As\n0.499999 0.499999 0.499999 Co\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ga\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Co", "Cu", "Ga" ], "chemical_system": "As-Co-Cu-Ga", "density": 7.9265441485752, "density_atomic": 0.0714796143407147, "volume": 55.96001093309768, "volume_molar": 8.424976569256328, "formula_full": "Ga1 Co1 Cu1 As1", "formula_reduced": "GaCoCuAs", "formula_anonymous": "ABCD", "formation_energy": 0.281593725, "spacegroup": 216 }, { "id": "oqmd-998986", "created_at": "2022-09-04T15:26:15.051240Z", "updated_at": "2022-09-04T15:26:15.051272Z", "structure_string": "Sc1 Cu1 As1 Ir1\n1.0\n0.000000 3.168691 3.168691\n3.168691 0.000000 3.168691\n3.168691 3.168691 0.000000\nAs Cu Ir Sc\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ir\n0.250001 0.250001 0.250001 Sc\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ir", "Sc" ], "chemical_system": "As-Cu-Ir-Sc", "density": 9.802838654800215, "density_atomic": 0.06286230836271127, "volume": 63.63113452532272, "volume_molar": 9.579891220749731, "formula_full": "Sc1 Cu1 As1 Ir1", "formula_reduced": "ScCuAsIr", "formula_anonymous": "ABCD", "formation_energy": -0.2768303375, "spacegroup": 216 }, { "id": "oqmd-998985", "created_at": "2022-09-04T15:26:14.135878Z", "updated_at": "2022-09-04T15:26:14.135909Z", "structure_string": "Sc1 Cu1 As1 Ir1\n1.0\n0.000000 3.124642 3.124642\n3.124642 0.000000 3.124642\n3.124642 3.124642 0.000000\nAs Cu Ir Sc\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 As\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 Ir\n0.500000 0.500000 0.500000 Sc\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ir", 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"2022-09-04T15:26:13.870364Z", "structure_string": "Zr1 Cu1 As1 Os1\n1.0\n0.000000 3.179229 3.179229\n3.179229 0.000000 3.179229\n3.179229 3.179229 0.000000\nAs Cu Os Zr\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 As\n0.749999 0.749999 0.749999 Cu\n0.249999 0.249999 0.249999 Os\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Os", "Zr" ], "chemical_system": "As-Cu-Os-Zr", "density": 10.849803741673863, "density_atomic": 0.06223928025928122, "volume": 64.26809537861764, "volume_molar": 9.675787918678523, "formula_full": "Zr1 Cu1 As1 Os1", "formula_reduced": "ZrCuAsOs", "formula_anonymous": "ABCD", "formation_energy": -0.05136196625, "spacegroup": 216 }, { "id": "oqmd-998981", "created_at": "2022-09-04T15:26:14.101697Z", "updated_at": "2022-09-04T15:26:14.101724Z", "structure_string": "Zr1 Cu1 As1 Os1\n1.0\n0.000000 3.142720 3.142720\n3.142720 0.000000 3.142720\n3.142720 3.142720 0.000000\nAs Cu Os Zr\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 As\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Os", "Zr" ], "chemical_system": "As-Cu-Os-Zr", "density": 11.23234018816259, "density_atomic": 0.06443367876355577, "volume": 62.079336098103305, "volume_molar": 9.346262506753183, "formula_full": "Zr1 Cu1 As1 Os1", "formula_reduced": "ZrCuAsOs", "formula_anonymous": "ABCD", "formation_energy": -0.113199236250001, "spacegroup": 216 }, { "id": "oqmd-998980", "created_at": "2022-09-04T15:26:14.643631Z", "updated_at": "2022-09-04T15:26:14.643658Z", "structure_string": "Cu1 Ge1 As1 Os1\n1.0\n0.000000 3.123608 3.123608\n3.123608 0.000000 3.123608\n3.123608 3.123608 0.000000\nAs Cu Ge Os\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 As\n0.750000 0.750000 0.750000 Cu\n0.249999 0.249999 0.249999 Ge\n0.500000 0.500000 0.500000 Os\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ge", "Os" ], "chemical_system": "As-Cu-Ge-Os", 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"Y1 Cu1 As1 Ir1\n1.0\n0.000000 3.297723 3.297723\n3.297723 0.000000 3.297723\n3.297723 3.297723 0.000000\nAs Cu Ir Y\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 As\n0.749999 0.749999 0.749999 Cu\n0.000000 0.000000 0.000000 Ir\n0.250000 0.250000 0.250000 Y\n", "nsites": 4, "nelements": 4, "elements": [ "As", "Cu", "Ir", "Y" ], "chemical_system": "As-Cu-Ir-Y", "density": 9.714091211368315, "density_atomic": 0.055768308978962816, "volume": 71.72532345402294, "volume_molar": 10.79849984741639, "formula_full": "Y1 Cu1 As1 Ir1", "formula_reduced": "YCuAsIr", "formula_anonymous": "ABCD", "formation_energy": -0.175209272500001, "spacegroup": 216 } ] }{ "count": 1013513, "next": "