Oqmd Structure
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"created_at": "2022-09-04T15:26:17.853802Z", "updated_at": "2022-09-04T15:26:17.853831Z", "structure_string": "Cr1 Cu1 Bi1 Mo1\n1.0\n0.000000 3.250085 3.250085\n3.250085 0.000000 3.250085\n3.250085 3.250085 0.000000\nBi Cr Cu Mo\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.000000 0.000000 0.000000 Cr\n0.750000 0.750000 0.750000 Cu\n0.250001 0.250001 0.250001 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cr", "Cu", "Mo" ], "chemical_system": "Bi-Cr-Cu-Mo", "density": 10.168624542533642, "density_atomic": 0.058256694332446166, "volume": 68.66163701588872, "volume_molar": 10.337251073042706, "formula_full": "Cr1 Cu1 Bi1 Mo1", "formula_reduced": "CrCuBiMo", "formula_anonymous": "ABCD", "formation_energy": 0.67570001125, "spacegroup": 216 }, { "id": "oqmd-999603", "created_at": "2022-09-04T15:26:15.993186Z", "updated_at": "2022-09-04T15:26:15.993207Z", "structure_string": "Cr1 Cu1 Bi1 Mo1\n1.0\n0.000000 3.247430 3.247430\n3.247430 0.000000 3.247430\n3.247430 3.247430 0.000000\nBi Cr Cu Mo\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Bi\n0.000000 0.000000 0.000000 Cr\n0.750001 0.750001 0.750001 Cu\n0.500002 0.500002 0.500002 Mo\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cr", "Cu", "Mo" ], "chemical_system": "Bi-Cr-Cu-Mo", "density": 10.19358561329353, "density_atomic": 0.058399697888471554, "volume": 68.49350501160082, "volume_molar": 10.31193820814064, "formula_full": "Cr1 Cu1 Bi1 Mo1", "formula_reduced": "CrCuBiMo", "formula_anonymous": "ABCD", "formation_energy": 0.670675723750001, "spacegroup": 216 }, { "id": "oqmd-999602", "created_at": "2022-09-04T15:26:16.702719Z", "updated_at": "2022-09-04T15:26:16.702740Z", "structure_string": "Zr1 Cu1 Bi1 Ru1\n1.0\n0.000000 3.308724 3.308724\n3.308724 0.000000 3.308724\n3.308724 3.308724 0.000000\nBi Cu Ru Zr\n1 1 1 1\ndirect\n0.499999 0.499999 0.499999 Bi\n0.750001 0.750001 0.750001 Cu\n0.250000 0.250000 0.250000 Ru\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ru", "Zr" ], "chemical_system": "Bi-Cu-Ru-Zr", "density": 10.654244450364992, "density_atomic": 0.05521389318861187, "volume": 72.44553442982027, "volume_molar": 10.906930144245099, "formula_full": "Zr1 Cu1 Bi1 Ru1", "formula_reduced": "ZrCuBiRu", "formula_anonymous": "ABCD", "formation_energy": -0.0574694312500004, "spacegroup": 216 }, { "id": "oqmd-999601", "created_at": "2022-09-04T15:26:16.836414Z", "updated_at": "2022-09-04T15:26:16.836444Z", "structure_string": "Zr1 Cu1 Bi1 Ru1\n1.0\n0.000000 3.306246 3.306246\n3.306246 0.000000 3.306246\n3.306246 3.306246 0.000000\nBi Cu Ru Zr\n1 1 1 1\ndirect\n0.250000 0.250000 0.250000 Bi\n0.750000 0.750000 0.750000 Cu\n0.500001 0.500001 0.500001 Ru\n0.000000 0.000000 0.000000 Zr\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ru", "Zr" ], "chemical_system": "Bi-Cu-Ru-Zr", "density": 10.67821817478265, "density_atomic": 0.055338133125615044, "volume": 72.28288657516114, "volume_molar": 10.882442937368367, "formula_full": "Zr1 Cu1 Bi1 Ru1", "formula_reduced": "ZrCuBiRu", "formula_anonymous": "ABCD", "formation_energy": 0.10038224125, "spacegroup": 216 }, { "id": "oqmd-999600", "created_at": "2022-09-04T15:26:15.604050Z", "updated_at": "2022-09-04T15:26:15.604065Z", "structure_string": "In1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.391703 3.391703\n3.391703 0.000000 3.391703\n3.391703 3.391703 0.000000\nBi Cu In Ir\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.749999 0.749999 0.749999 Cu\n0.250000 0.250000 0.250000 In\n0.500000 0.500000 0.500000 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "In", "Ir" ], "chemical_system": "Bi-Cu-In-Ir", "density": 12.332897101248097, "density_atomic": 0.05125975770503577, "volume": 78.03392327792918, "volume_molar": 11.748281750868252, "formula_full": "In1 Cu1 Bi1 Ir1", "formula_reduced": "InCuBiIr", "formula_anonymous": "ABCD", "formation_energy": 0.44810927125, "spacegroup": 216 }, { "id": "oqmd-9996", "created_at": "2022-09-04T15:17:23.219076Z", "updated_at": "2022-09-04T15:17:23.219096Z", "structure_string": "Ce8 Al8 Rh8\n1.0\n7.259723 0.000000 0.000000\n0.000000 4.288424 0.000000\n0.000000 0.000000 16.344406\nAl Ce Rh\n8 8 8\ndirect\n0.995411 0.749998 0.061226 Al\n0.348219 0.749998 0.147376 Al\n0.848220 0.749998 0.352624 Al\n0.495411 0.749998 0.438774 Al\n0.504588 0.250001 0.561226 Al\n0.151781 0.250001 0.647376 Al\n0.651781 0.250001 0.852624 Al\n0.004590 0.250001 0.938774 Al\n0.656196 0.250001 0.060115 Ce\n0.021717 0.250001 0.220012 Ce\n0.521715 0.250001 0.279989 Ce\n0.156196 0.250001 0.439885 Ce\n0.843804 0.749998 0.560116 Ce\n0.478284 0.749998 0.720011 Ce\n0.978284 0.749998 0.779989 Ce\n0.343805 0.749998 0.939885 Ce\n0.218676 0.250001 0.069744 Rh\n0.730215 0.749998 0.182240 Rh\n0.230215 0.749998 0.317760 Rh\n0.718678 0.250001 0.430255 Rh\n0.281322 0.749998 0.569745 Rh\n0.769784 0.250001 0.682240 Rh\n0.269784 0.250001 0.817760 Rh\n0.781323 0.749998 0.930256 Rh\n", "nsites": 24, "nelements": 3, "elements": [ "Al", "Ce", "Rh" ], "chemical_system": "Al-Ce-Rh", "density": 7.048891509831442, "density_atomic": 0.04716548796148638, "volume": 508.8466384488066, "volume_molar": 12.768108674964754, "formula_full": "Ce8 Al8 Rh8", "formula_reduced": "CeAlRh", "formula_anonymous": "ABC", "formation_energy": -0.757510885416667, "spacegroup": 62 }, { "id": "oqmd-999599", "created_at": "2022-09-04T15:26:15.826836Z", "updated_at": "2022-09-04T15:26:15.826866Z", "structure_string": "In1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.367440 3.367440\n3.367440 0.000000 3.367440\n3.367440 3.367440 0.000000\nBi Cu In Ir\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Bi\n0.750000 0.750000 0.750000 Cu\n0.000000 0.000000 0.000000 In\n0.250000 0.250000 0.250000 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "In", "Ir" ], "chemical_system": "Bi-Cu-In-Ir", "density": 12.60140459159627, "density_atomic": 0.05237576708906295, "volume": 76.37119649623759, "volume_molar": 11.497952382749038, "formula_full": 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"updated_at": "2022-09-04T15:26:15.954585Z", "structure_string": "Ga1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.288602 3.288602\n3.288602 0.000000 3.288602\n3.288602 3.288602 0.000000\nBi Cu Ga Ir\n1 1 1 1\ndirect\n0.000000 0.000000 0.000000 Bi\n0.750000 0.750000 0.750000 Cu\n0.250000 0.250000 0.250000 Ga\n0.500000 0.500000 0.500000 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ga", "Ir" ], "chemical_system": "Bi-Cu-Ga-Ir", "density": 12.476867410144425, "density_atomic": 0.05623362053346088, "volume": 71.13182402367045, "volume_molar": 10.709146419652324, "formula_full": "Ga1 Cu1 Bi1 Ir1", "formula_reduced": "GaCuBiIr", "formula_anonymous": "ABCD", "formation_energy": 0.3470406575, "spacegroup": 216 }, { "id": "oqmd-999596", "created_at": "2022-09-04T15:26:16.845423Z", "updated_at": "2022-09-04T15:26:16.845450Z", "structure_string": "Ga1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.278111 3.278111\n3.278111 0.000000 3.278111\n3.278111 3.278111 0.000000\nBi Cu Ga Ir\n1 1 1 1\ndirect\n0.500001 0.500001 0.500001 Bi\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ga\n0.249999 0.249999 0.249999 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ga", "Ir" ], "chemical_system": "Bi-Cu-Ga-Ir", "density": 12.597041041854714, "density_atomic": 0.056775246743115855, "volume": 70.45323850547616, "volume_molar": 10.606982981945738, "formula_full": "Ga1 Cu1 Bi1 Ir1", "formula_reduced": "GaCuBiIr", "formula_anonymous": "ABCD", "formation_energy": 0.240547179999999, "spacegroup": 216 }, { "id": "oqmd-999595", "created_at": "2022-09-04T15:26:15.632490Z", "updated_at": "2022-09-04T15:26:15.632519Z", "structure_string": "Ga1 Cu1 Bi1 Ir1\n1.0\n0.000000 3.318790 3.318790\n3.318790 0.000000 3.318790\n3.318790 3.318790 0.000000\nBi Cu Ga Ir\n1 1 1 1\ndirect\n0.249999 0.249999 0.249999 Bi\n0.750001 0.750001 0.750001 Cu\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ir\n", "nsites": 4, "nelements": 4, "elements": [ "Bi", "Cu", "Ga", "Ir" ], "chemical_system": "Bi-Cu-Ga-Ir", "density": 12.139482997288713, "density_atomic": 0.0547130187331238, "volume": 73.10874253732888, "volume_molar": 11.006778458659854, "formula_full": "Ga1 Cu1 Bi1 Ir1", "formula_reduced": "GaCuBiIr", "formula_anonymous": "ABCD", "formation_energy": 0.410196494999999, "spacegroup": 216 } ] }{ "count": 1013513, "next": "