HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-structure_string&page=17",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-structure_string&page=15",
"results": [
{
"id": "oqmd-757709",
"created_at": "2022-09-04T15:22:46.414321Z",
"updated_at": "2022-09-04T15:22:46.414348Z",
"structure_string": "Zr8 Re4\n1.0\n4.620479 0.000000 0.000000\n0.000000 10.269802 0.000000\n0.000000 0.000000 4.854463\nRe Zr\n4 8\ndirect\n0.916249 0.009180 0.000000 Re\n0.916249 0.657486 0.000000 Re\n0.917074 0.157486 0.500002 Re\n0.917074 0.509180 0.500002 Re\n0.418104 0.153170 0.000000 Zr\n0.918539 0.333334 0.000000 Zr\n0.418104 0.513497 0.000000 Zr\n0.414446 0.833333 0.000000 Zr\n0.415219 0.013496 0.500002 Zr\n0.418876 0.333334 0.500002 Zr\n0.415219 0.653170 0.500002 Zr\n0.914786 0.833333 0.500002 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Re",
"Zr"
],
"chemical_system": "Re-Zr",
"density": 10.63013917950152,
"density_atomic": 0.05209439269192472,
"volume": 230.35108732268893,
"volume_molar": 11.560055600635703,
"formula_full": "Zr8 Re4",
"formula_reduced": "Zr2Re",
"formula_anonymous": "AB2",
"formation_energy": -0.0280445416666666,
"spacegroup": 65
},
{
"id": "oqmd-757736",
"created_at": "2022-09-04T15:22:47.216966Z",
"updated_at": "2022-09-04T15:22:47.216990Z",
"structure_string": "Zr8 Re4\n1.0\n14.548023 0.000000 0.000000\n0.000000 3.344485 0.000000\n0.000000 0.000000 4.871653\nRe Zr\n4 8\ndirect\n0.301695 0.000000 0.000000 Re\n0.801719 0.499996 0.000000 Re\n0.142721 0.000000 0.499999 Re\n0.642744 0.499996 0.499999 Re\n0.646284 0.000000 0.000000 Zr\n0.950662 0.000000 0.000000 Zr\n0.146262 0.499996 0.000000 Zr\n0.450646 0.499996 0.000000 Zr\n0.493794 0.000000 0.499999 Zr\n0.798179 0.000000 0.499999 Zr\n0.298156 0.499996 0.499999 Zr\n0.993778 0.499996 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Re",
"Zr"
],
"chemical_system": "Re-Zr",
"density": 10.330459495417085,
"density_atomic": 0.05062577305479043,
"volume": 237.0334174850592,
"volume_molar": 11.895405040990598,
"formula_full": "Zr8 Re4",
"formula_reduced": "Zr2Re",
"formula_anonymous": "AB2",
"formation_energy": -0.159074974999999,
"spacegroup": 63
},
{
"id": "oqmd-757725",
"created_at": "2022-09-04T15:22:46.435216Z",
"updated_at": "2022-09-04T15:22:46.435242Z",
"structure_string": "Zr8 Re4\n1.0\n14.545844 0.000000 0.000000\n0.000000 3.344667 0.000000\n0.000000 0.000000 4.871200\nRe Zr\n4 8\ndirect\n0.642724 0.000000 0.000000 Re\n0.142703 0.500002 0.000000 Re\n0.801738 0.000000 0.500000 Re\n0.301716 0.500002 0.500000 Re\n0.298148 0.000000 0.000000 Zr\n0.993766 0.000000 0.000000 Zr\n0.493786 0.500002 0.000000 Zr\n0.798165 0.500002 0.000000 Zr\n0.146275 0.000000 0.500000 Zr\n0.450653 0.000000 0.500000 Zr\n0.646292 0.500002 0.500000 Zr\n0.950674 0.500002 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Re",
"Zr"
],
"chemical_system": "Re-Zr",
"density": 10.332405583942036,
"density_atomic": 0.05063531011711108,
"volume": 236.9887727012235,
"volume_molar": 11.893164564553445,
"formula_full": "Zr8 Re4",
"formula_reduced": "Zr2Re",
"formula_anonymous": "AB2",
"formation_energy": -0.159044352499999,
"spacegroup": 63
},
{
"id": "oqmd-757618",
"created_at": "2022-09-04T15:25:49.362867Z",
"updated_at": "2022-09-04T15:25:49.362892Z",
"structure_string": "Zr8 Pt8\n1.0\n5.134107 0.000000 0.000000\n0.000000 11.689884 0.000000\n0.000000 0.000000 4.893277\nPt Zr\n8 8\ndirect\n0.003675 0.250865 0.000000 Pt\n0.509806 0.375000 0.000000 Pt\n0.003675 0.499135 0.000000 Pt\n0.535618 0.875000 0.000000 Pt\n0.797708 0.375000 0.500000 Pt\n0.329637 0.750871 0.500000 Pt\n0.823524 0.875000 0.500000 Pt\n0.329637 0.999128 0.500000 Pt\n0.537912 0.139518 0.000000 Zr\n0.537912 0.610481 0.000000 Zr\n0.045636 0.750800 0.000000 Zr\n0.045636 0.999200 0.000000 Zr\n0.795426 0.110461 0.500000 Zr\n0.287682 0.250784 0.500000 Zr\n0.287682 0.499215 0.500000 Zr\n0.795426 0.639538 0.500000 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 12.95083139387239,
"density_atomic": 0.05448099923151209,
"volume": 293.6803697745969,
"volume_molar": 11.053653282696699,
"formula_full": "Zr8 Pt8",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"formation_energy": -0.605498723749999,
"spacegroup": 59
},
{
"id": "oqmd-757633",
"created_at": "2022-09-04T15:25:50.853846Z",
"updated_at": "2022-09-04T15:25:50.853869Z",
"structure_string": "Zr8 Pt8\n1.0\n5.045164 0.000000 0.000000\n0.000000 12.459887 0.000000\n0.000000 0.000000 4.796543\nPt Zr\n8 8\ndirect\n0.001068 0.502505 0.000000 Pt\n0.479313 0.633816 0.000000 Pt\n0.479313 0.866184 0.000000 Pt\n0.001068 0.997494 0.000000 Pt\n0.332289 0.002584 0.499998 Pt\n0.854058 0.133877 0.499998 Pt\n0.854058 0.366124 0.499998 Pt\n0.332289 0.497415 0.499998 Pt\n0.506554 0.090152 0.000000 Zr\n0.975499 0.250000 0.000000 Zr\n0.506554 0.409848 0.000000 Zr\n0.957539 0.750000 0.000000 Zr\n0.375776 0.250000 0.499998 Zr\n0.826607 0.589941 0.499998 Zr\n0.358004 0.750000 0.499998 Zr\n0.826607 0.910060 0.499998 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 12.614058293513049,
"density_atomic": 0.05306427667032174,
"volume": 301.5211174818222,
"volume_molar": 11.348766322425188,
"formula_full": "Zr8 Pt8",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"formation_energy": -0.823659281249999,
"spacegroup": 59
},
{
"id": "oqmd-757617",
"created_at": "2022-09-04T15:25:48.695612Z",
"updated_at": "2022-09-04T15:25:48.695631Z",
"structure_string": "Zr8 Pt8\n1.0\n10.712183 0.000000 0.000000\n0.000000 5.676247 0.000000\n0.000000 0.000000 4.877894\nPt Zr\n8 8\ndirect\n0.760645 0.255586 0.000000 Pt\n0.003386 0.499999 0.000000 Pt\n0.507986 0.499999 0.000000 Pt\n0.760645 0.744414 0.000000 Pt\n0.158681 0.000000 0.499999 Pt\n0.663282 0.000000 0.499999 Pt\n0.906022 0.244415 0.499999 Pt\n0.906022 0.755586 0.499999 Pt\n0.546394 0.000000 0.000000 Zr\n0.988738 0.000000 0.000000 Zr\n0.262405 0.246612 0.000000 Zr\n0.262405 0.753387 0.000000 Zr\n0.404262 0.253388 0.499999 Zr\n0.120273 0.499999 0.499999 Zr\n0.677929 0.499999 0.499999 Zr\n0.404262 0.746613 0.499999 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 12.823333595480461,
"density_atomic": 0.0539446469893312,
"volume": 296.60032816906505,
"volume_molar": 11.163555785601893,
"formula_full": "Zr8 Pt8",
"formula_reduced": "ZrPt",
"formula_anonymous": "AB",
"formation_energy": -0.71643779375,
"spacegroup": 59
},
{
"id": "oqmd-757627",
"created_at": "2022-09-04T15:25:10.875807Z",
"updated_at": "2022-09-04T15:25:10.875837Z",
"structure_string": "Zr8 Pt6\n1.0\n5.253662 6.066432 0.000000\n-2.626861 7.583067 0.000000\n0.000000 0.000000 4.821535\nPt Zr\n6 8\ndirect\n0.141061 0.270598 0.000000 Pt\n0.302607 0.569633 0.000000 Pt\n0.842038 0.731163 0.000000 Pt\n0.382730 0.110335 0.500000 Pt\n0.681773 0.649755 0.500000 Pt\n0.221195 0.811307 0.500000 Pt\n0.525502 0.177569 0.000000 Zr\n0.748974 0.439786 0.000000 Zr\n0.428573 0.857139 0.000000 Zr\n0.011204 0.954059 0.000000 Zr\n0.998299 0.203383 0.500000 Zr\n0.512591 0.426860 0.500000 Zr\n0.095234 0.523809 0.500000 Zr\n0.774784 0.941175 0.500000 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 11.734078660804249,
"density_atomic": 0.05206030153837811,
"volume": 268.91891875961187,
"volume_molar": 11.567625584267052,
"formula_full": "Zr8 Pt6",
"formula_reduced": "Zr4Pt3",
"formula_anonymous": "A3B4",
"formation_energy": -0.747512817857143,
"spacegroup": 176
},
{
"id": "oqmd-757615",
"created_at": "2022-09-04T15:25:10.673499Z",
"updated_at": "2022-09-04T15:25:10.673527Z",
"structure_string": "Zr8 Pt6\n1.0\n5.201510 6.005977 0.000000\n-2.600737 7.507454 0.000000\n0.000000 0.000000 4.937008\nPt Zr\n6 8\ndirect\n0.716005 0.427447 0.000000 Pt\n0.284634 0.570784 0.000000 Pt\n0.427955 0.858872 0.000000 Pt\n0.524377 0.379224 0.500001 Pt\n0.667756 0.667265 0.500001 Pt\n0.236369 0.810660 0.500001 Pt\n0.571857 0.180564 0.000000 Zr\n0.142871 0.285708 0.000000 Zr\n0.819020 0.714632 0.000000 Zr\n0.037752 0.961818 0.000000 Zr\n0.380594 0.057507 0.500001 Zr\n0.914601 0.276186 0.500001 Zr\n0.133277 0.523529 0.500001 Zr\n0.809498 0.952369 0.500001 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 11.691142151576464,
"density_atomic": 0.05186980617167578,
"volume": 269.9065416528372,
"volume_molar": 11.61010847055849,
"formula_full": "Zr8 Pt6",
"formula_reduced": "Zr4Pt3",
"formula_anonymous": "A3B4",
"formation_energy": -0.55912226,
"spacegroup": 176
},
{
"id": "oqmd-757613",
"created_at": "2022-09-04T15:22:46.424214Z",
"updated_at": "2022-09-04T15:22:46.424240Z",
"structure_string": "Zr8 Pt4\n1.0\n5.492439 0.000000 0.000000\n0.000000 9.024135 0.000000\n0.000000 0.000000 4.804874\nPt Zr\n4 8\ndirect\n0.993621 0.667541 0.000000 Pt\n0.993621 0.999127 0.000000 Pt\n0.839702 0.167538 0.500001 Pt\n0.839702 0.499127 0.500001 Pt\n0.551455 0.144976 0.000000 Zr\n0.033630 0.333333 0.000000 Zr\n0.551455 0.521690 0.000000 Zr\n0.429139 0.833333 0.000000 Zr\n0.281869 0.021691 0.500001 Zr\n0.404187 0.333333 0.500001 Zr\n0.281869 0.644977 0.500001 Zr\n0.799696 0.833333 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 10.529555259521755,
"density_atomic": 0.050388150356752516,
"volume": 238.1512302999604,
"volume_molar": 11.951501925279487,
"formula_full": "Zr8 Pt4",
"formula_reduced": "Zr2Pt",
"formula_anonymous": "AB2",
"formation_energy": -0.549310077499999,
"spacegroup": 59
},
{
"id": "oqmd-757623",
"created_at": "2022-09-04T15:24:18.419831Z",
"updated_at": "2022-09-04T15:24:18.419869Z",
"structure_string": "Zr8 Pt4\n1.0\n4.807149 0.000000 0.000000\n0.000000 10.366391 0.000000\n0.000000 0.000000 4.800533\nPt Zr\n4 8\ndirect\n0.918821 0.000000 0.000000 Pt\n0.418822 0.500000 0.000000 Pt\n0.414499 0.000000 0.500001 Pt\n0.914503 0.500000 0.500001 Pt\n0.417566 0.156595 0.000000 Zr\n0.917565 0.343406 0.000000 Zr\n0.917565 0.656595 0.000000 Zr\n0.417566 0.843405 0.000000 Zr\n0.915757 0.156595 0.500001 Zr\n0.415758 0.343404 0.500001 Zr\n0.415758 0.656596 0.500001 Zr\n0.915757 0.843406 0.500001 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 10.4823396829078,
"density_atomic": 0.05016220486190806,
"volume": 239.22393429545008,
"volume_molar": 12.005335045734933,
"formula_full": "Zr8 Pt4",
"formula_reduced": "Zr2Pt",
"formula_anonymous": "AB2",
"formation_energy": -0.720789771666666,
"spacegroup": 139
},
{
"id": "oqmd-757629",
"created_at": "2022-09-04T15:22:47.225191Z",
"updated_at": "2022-09-04T15:22:47.225220Z",
"structure_string": "Zr8 Pt4\n1.0\n16.430455 0.000000 0.000000\n0.000000 2.998915 0.000000\n0.000000 0.000000 4.840389\nPt Zr\n4 8\ndirect\n0.664946 0.000000 0.000000 Pt\n0.164938 0.500001 0.000000 Pt\n0.779502 0.000000 0.499999 Pt\n0.279494 0.500001 0.499999 Pt\n0.004864 0.000000 0.000000 Zr\n0.314713 0.000000 0.000000 Zr\n0.504866 0.500001 0.000000 Zr\n0.814717 0.500001 0.000000 Zr\n0.129723 0.000000 0.499999 Zr\n0.439575 0.000000 0.499999 Zr\n0.629727 0.500001 0.499999 Zr\n0.939577 0.500001 0.499999 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 10.514021130060302,
"density_atomic": 0.050313813309111576,
"volume": 238.503091114878,
"volume_molar": 11.969159886574172,
"formula_full": "Zr8 Pt4",
"formula_reduced": "Zr2Pt",
"formula_anonymous": "AB2",
"formation_energy": -0.595967077499999,
"spacegroup": 63
},
{
"id": "oqmd-757640",
"created_at": "2022-09-04T15:24:18.655144Z",
"updated_at": "2022-09-04T15:24:18.655166Z",
"structure_string": "Zr8 Pt4\n1.0\n15.011359 0.000000 0.000000\n0.000000 3.300435 0.000000\n0.000000 0.000000 4.797006\nPt Zr\n4 8\ndirect\n0.317626 0.000000 0.000000 Pt\n0.817584 0.499998 0.000000 Pt\n0.126857 0.000000 0.500002 Pt\n0.626814 0.499998 0.500002 Pt\n0.647501 0.000000 0.000000 Zr\n0.967747 0.000000 0.000000 Zr\n0.147583 0.499998 0.000000 Zr\n0.467797 0.499998 0.000000 Zr\n0.476643 0.000000 0.500002 Zr\n0.796857 0.000000 0.500002 Zr\n0.296939 0.499998 0.500002 Zr\n0.976694 0.499998 0.500002 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pt",
"Zr"
],
"chemical_system": "Pt-Zr",
"density": 10.551188953021233,
"density_atomic": 0.05049167626776741,
"volume": 237.66293549775634,
"volume_molar": 11.926997091685745,
"formula_full": "Zr8 Pt4",
"formula_reduced": "Zr2Pt",
"formula_anonymous": "AB2",
"formation_energy": -0.644923349999999,
"spacegroup": 63
}
]
}