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=-formula_full&page=20",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=-formula_full&page=18",
"results": [
{
"id": "oqmd-757480",
"created_at": "2022-09-04T15:24:16.768815Z",
"updated_at": "2022-09-04T15:24:16.768828Z",
"structure_string": "Zr8 Pa4\n1.0\n16.748367 0.000000 0.000000\n0.000000 3.122715 0.000000\n0.000000 0.000000 5.455520\nPa Zr\n4 8\ndirect\n0.344660 0.000000 0.000000 Pa\n0.844657 0.500001 0.000000 Pa\n0.099783 0.000000 0.500000 Pa\n0.599779 0.500001 0.500000 Pa\n0.009258 0.000000 0.000000 Zr\n0.680583 0.000000 0.000000 Zr\n0.180583 0.500001 0.000000 Zr\n0.509262 0.500001 0.000000 Zr\n0.435179 0.000000 0.500000 Zr\n0.763858 0.000000 0.500000 Zr\n0.263857 0.500001 0.500000 Zr\n0.935182 0.500001 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pa",
"Zr"
],
"chemical_system": "Pa-Zr",
"density": 9.62557541984938,
"density_atomic": 0.04205719223759902,
"volume": 285.32575194765457,
"volume_molar": 14.318932005680166,
"formula_full": "Zr8 Pa4",
"formula_reduced": "Zr2Pa",
"formula_anonymous": "AB2",
"formation_energy": 0.0721852391666668,
"spacegroup": 63
},
{
"id": "oqmd-70745",
"created_at": "2022-09-04T15:33:41.448090Z",
"updated_at": "2022-09-04T15:33:41.448116Z",
"structure_string": "Zr8 P8 W4 O48\n1.0\n9.393985 0.000000 0.000000\n0.000000 12.214968 0.000000\n0.000000 0.000000 9.184550\nO P W Zr\n48 8 4 8\ndirect\n0.927039 0.342834 0.048284 O\n0.572961 0.657166 0.048284 O\n0.658681 0.096094 0.069103 O\n0.841319 0.903905 0.069103 O\n0.244651 0.313086 0.144292 O\n0.255350 0.686914 0.144292 O\n0.373979 0.072449 0.156169 O\n0.126022 0.927550 0.156169 O\n0.406165 0.477365 0.159686 O\n0.093835 0.522635 0.159686 O\n0.505883 0.291125 0.202609 O\n0.994116 0.708876 0.202609 O\n0.005884 0.208876 0.297391 O\n0.494117 0.791124 0.297391 O\n0.906165 0.022635 0.340315 O\n0.593834 0.977366 0.340315 O\n0.873978 0.427550 0.343832 O\n0.626022 0.572449 0.343832 O\n0.744650 0.186915 0.355707 O\n0.755349 0.813086 0.355707 O\n0.158680 0.403905 0.430899 O\n0.341318 0.596095 0.430899 O\n0.427039 0.157165 0.451715 O\n0.072962 0.842834 0.451715 O\n0.927039 0.157165 0.548284 O\n0.572961 0.842834 0.548284 O\n0.658681 0.403905 0.569102 O\n0.841319 0.596095 0.569102 O\n0.244651 0.186915 0.644293 O\n0.255350 0.813086 0.644293 O\n0.373979 0.427550 0.656168 O\n0.126022 0.572449 0.656168 O\n0.406165 0.022635 0.659686 O\n0.093835 0.977366 0.659686 O\n0.505883 0.208876 0.702609 O\n0.994116 0.791124 0.702609 O\n0.005884 0.291125 0.797391 O\n0.494117 0.708876 0.797391 O\n0.906165 0.477365 0.840314 O\n0.593834 0.522635 0.840314 O\n0.873978 0.072449 0.843831 O\n0.626022 0.927550 0.843831 O\n0.744650 0.313086 0.855708 O\n0.755349 0.686914 0.855708 O\n0.158680 0.096094 0.930898 O\n0.341318 0.903905 0.930898 O\n0.427039 0.342834 0.951716 O\n0.072962 0.657166 0.951716 O\n0.395912 0.357036 0.114810 P\n0.104088 0.642964 0.114810 P\n0.895912 0.142965 0.385190 P\n0.604089 0.857036 0.385190 P\n0.395912 0.142965 0.614810 P\n0.104088 0.857036 0.614810 P\n0.895912 0.357036 0.885190 P\n0.604089 0.642964 0.885190 P\n0.249999 0.000000 0.044289 W\n0.750000 0.500000 0.455711 W\n0.249999 0.500000 0.544288 W\n0.750000 0.000000 0.955711 W\n0.053317 0.363876 0.226252 Zr\n0.446684 0.636124 0.226252 Zr\n0.553317 0.136125 0.273749 Zr\n0.946682 0.863876 0.273749 Zr\n0.053317 0.136125 0.726251 Zr\n0.446684 0.863876 0.726251 Zr\n0.553317 0.363876 0.773749 Zr\n0.946682 0.636124 0.773749 Zr\n",
"nsites": 68,
"nelements": 4,
"elements": [
"O",
"P",
"W",
"Zr"
],
"chemical_system": "O-P-W-Zr",
"density": 3.9089544106923118,
"density_atomic": 0.06452215052237738,
"volume": 1053.9016360965286,
"volume_molar": 9.333447058481752,
"formula_full": "Zr8 P8 W4 O48",
"formula_reduced": "Zr2P2WO12",
"formula_anonymous": "AB2C2D12",
"formation_energy": -2.99543786476264,
"spacegroup": 60
},
{
"id": "oqmd-1258442",
"created_at": "2022-09-04T15:41:17.812903Z",
"updated_at": "2022-09-04T15:41:17.812928Z",
"structure_string": "Zr8 P4 O2\n1.0\n6.167423 -2.811326 0.000000\n6.167423 2.811326 0.000000\n0.000000 0.000000 6.887680\nO P Zr\n2 4 8\ndirect\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.374476 0.374476 0.049397 P\n0.874476 0.874476 0.450603 P\n0.125524 0.125524 0.549398 P\n0.625524 0.625524 0.950603 P\n0.815286 0.815286 0.088956 Zr\n0.791330 0.291329 0.250000 Zr\n0.291329 0.791330 0.250000 Zr\n0.315286 0.315286 0.411044 Zr\n0.684714 0.684714 0.588956 Zr\n0.708671 0.208670 0.750000 Zr\n0.208670 0.708671 0.750000 Zr\n0.184714 0.184714 0.911044 Zr\n",
"nsites": 14,
"nelements": 3,
"elements": [
"O",
"P",
"Zr"
],
"chemical_system": "O-P-Zr",
"density": 6.15759187190733,
"density_atomic": 0.058615184072921475,
"volume": 238.84596152735782,
"volume_molar": 10.274028573394952,
"formula_full": "Zr8 P4 O2",
"formula_reduced": "Zr4P2O",
"formula_anonymous": "AB2C4",
"formation_energy": -1.53650211411409,
"spacegroup": 64
},
{
"id": "oqmd-1520511",
"created_at": "2022-09-04T15:54:30.945186Z",
"updated_at": "2022-09-04T15:54:30.945212Z",
"structure_string": "Zr8 P4\n1.0\n7.034003 0.000000 0.000000\n0.000000 3.662494 0.000000\n0.000000 0.000000 8.757818\nP Zr\n4 8\ndirect\n0.736572 0.250000 0.146665 P\n0.236572 0.250000 0.353335 P\n0.763428 0.750000 0.646665 P\n0.263428 0.750000 0.853335 P\n0.355001 0.250000 0.059467 Zr\n0.027644 0.750000 0.172186 Zr\n0.527644 0.750000 0.327814 Zr\n0.855001 0.250000 0.440533 Zr\n0.144999 0.750000 0.559467 Zr\n0.472356 0.250000 0.672186 Zr\n0.972356 0.250000 0.827814 Zr\n0.644999 0.750000 0.940533 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"P",
"Zr"
],
"chemical_system": "P-Zr",
"density": 6.283077304063845,
"density_atomic": 0.05318704464277123,
"volume": 225.6188528728668,
"volume_molar": 11.322570750917784,
"formula_full": "Zr8 P4",
"formula_reduced": "Zr2P",
"formula_anonymous": "AB2",
"formation_energy": -1.1541669204866452,
"spacegroup": 62
},
{
"id": "oqmd-1270262",
"created_at": "2022-09-04T15:41:48.673243Z",
"updated_at": "2022-09-04T15:41:48.673272Z",
"structure_string": "Zr8 P12 O2\n1.0\n6.214417 0.000000 0.000000\n0.000000 8.105190 0.000000\n0.000000 0.000000 8.369894\nO P Zr\n2 12 8\ndirect\n0.000000 0.000000 0.000000 O\n0.500000 0.499999 0.500000 O\n0.517993 0.295852 0.000000 P\n0.482006 0.704148 0.000000 P\n0.279376 0.286926 0.197841 P\n0.720625 0.713073 0.197841 P\n0.779376 0.213073 0.302158 P\n0.220624 0.786927 0.302158 P\n0.017995 0.204147 0.500000 P\n0.982006 0.795853 0.500000 P\n0.779376 0.213073 0.697842 P\n0.220624 0.786927 0.697842 P\n0.279376 0.286926 0.802159 P\n0.720625 0.713073 0.802159 P\n0.932892 0.235501 0.000000 Zr\n0.067110 0.764498 0.000000 Zr\n0.500000 0.000000 0.178015 Zr\n0.000000 0.499999 0.321984 Zr\n0.432890 0.264498 0.500000 Zr\n0.567110 0.735502 0.500000 Zr\n0.000000 0.499999 0.678015 Zr\n0.500000 0.000000 0.821983 Zr\n",
"nsites": 22,
"nelements": 3,
"elements": [
"O",
"P",
"Zr"
],
"chemical_system": "O-P-Zr",
"density": 4.464551685477913,
"density_atomic": 0.05218421213972931,
"volume": 421.5834463705696,
"volume_molar": 11.540158436952186,
"formula_full": "Zr8 P12 O2",
"formula_reduced": "Zr4P6O",
"formula_anonymous": "AB4C6",
"formation_energy": -1.06287312451258,
"spacegroup": 58
},
{
"id": "oqmd-757426",
"created_at": "2022-09-04T15:22:47.433366Z",
"updated_at": "2022-09-04T15:22:47.433388Z",
"structure_string": "Zr8 Os8\n1.0\n4.576033 0.000000 0.000000\n0.000000 13.366294 0.000000\n0.000000 0.000000 4.572415\nOs Zr\n8 8\ndirect\n0.916095 0.245592 0.000000 Os\n0.416848 0.375000 0.000000 Os\n0.916095 0.504408 0.000000 Os\n0.416490 0.875000 0.000000 Os\n0.417235 0.004363 0.500001 Os\n0.916822 0.375000 0.500001 Os\n0.417235 0.745638 0.500001 Os\n0.916466 0.875000 0.500001 Os\n0.416706 0.125005 0.000000 Zr\n0.416706 0.624994 0.000000 Zr\n0.916890 0.761183 0.000000 Zr\n0.916890 0.988817 0.000000 Zr\n0.916628 0.125011 0.500001 Zr\n0.416431 0.261215 0.500001 Zr\n0.416431 0.488785 0.500001 Zr\n0.916628 0.624988 0.500001 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Os",
"Zr"
],
"chemical_system": "Os-Zr",
"density": 13.369055052427095,
"density_atomic": 0.05721029467104947,
"volume": 279.6699456277507,
"volume_molar": 10.52632361819913,
"formula_full": "Zr8 Os8",
"formula_reduced": "ZrOs",
"formula_anonymous": "AB",
"formation_energy": -0.1188387975,
"spacegroup": 139
},
{
"id": "oqmd-757425",
"created_at": "2022-09-04T15:27:12.393352Z",
"updated_at": "2022-09-04T15:27:12.393374Z",
"structure_string": "Zr8 Os8\n1.0\n11.034309 0.000000 0.000000\n0.000000 5.741399 0.000000\n0.000000 0.000000 4.548833\nOs Zr\n8 8\ndirect\n0.765215 0.260464 0.000000 Os\n0.517687 0.500000 0.000000 Os\n0.966161 0.500000 0.000000 Os\n0.765215 0.739536 0.000000 Os\n0.148979 0.000000 0.500001 Os\n0.700506 0.000000 0.500001 Os\n0.901453 0.239536 0.500001 Os\n0.901453 0.760464 0.500001 Os\n0.550614 0.000000 0.000000 Zr\n0.995637 0.000000 0.000000 Zr\n0.251543 0.240069 0.000000 Zr\n0.251543 0.759930 0.000000 Zr\n0.415124 0.259930 0.500001 Zr\n0.116053 0.500000 0.500001 Zr\n0.671029 0.500000 0.500001 Zr\n0.415124 0.740070 0.500001 Zr\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Os",
"Zr"
],
"chemical_system": "Os-Zr",
"density": 12.97429133660699,
"density_atomic": 0.05552097942633392,
"volume": 288.17935427866587,
"volume_molar": 10.846603972450215,
"formula_full": "Zr8 Os8",
"formula_reduced": "ZrOs",
"formula_anonymous": "AB",
"formation_energy": -0.0305820568749997,
"spacegroup": 59
},
{
"id": "oqmd-757423",
"created_at": "2022-09-04T15:25:09.804206Z",
"updated_at": "2022-09-04T15:25:09.804232Z",
"structure_string": "Zr8 Os6\n1.0\n5.233057 6.042295 0.000000\n-2.616341 7.552708 0.000000\n0.000000 0.000000 4.805283\nOs Zr\n6 8\ndirect\n0.708485 0.441461 0.000000 Os\n0.298606 0.564297 0.000000 Os\n0.421451 0.851349 0.000000 Os\n0.530921 0.386719 0.499998 Os\n0.653761 0.673783 0.499998 Os\n0.243875 0.796620 0.499998 Os\n0.571036 0.193520 0.000000 Zr\n0.142861 0.285711 0.000000 Zr\n0.806846 0.713879 0.000000 Zr\n0.050682 0.949694 0.000000 Zr\n0.381336 0.044553 0.499998 Zr\n0.901684 0.288389 0.499998 Zr\n0.145513 0.524208 0.499998 Zr\n0.809507 0.952382 0.499998 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Os",
"Zr"
],
"chemical_system": "Os-Zr",
"density": 11.685946491725709,
"density_atomic": 0.05265372750118557,
"volume": 265.88810829555746,
"volume_molar": 11.437254389756932,
"formula_full": "Zr8 Os6",
"formula_reduced": "Zr4Os3",
"formula_anonymous": "A3B4",
"formation_energy": -0.0067337614285715,
"spacegroup": 176
},
{
"id": "oqmd-757435",
"created_at": "2022-09-04T15:25:11.009503Z",
"updated_at": "2022-09-04T15:25:11.009531Z",
"structure_string": "Zr8 Os6\n1.0\n5.340720 6.168097 0.000000\n-2.670094 7.709891 0.000000\n0.000000 0.000000 4.627093\nOs Zr\n6 8\ndirect\n0.133459 0.298276 0.000000 Os\n0.282499 0.562024 0.000000 Os\n0.869699 0.711098 0.000000 Os\n0.390342 0.082648 0.499999 Os\n0.654105 0.669839 0.499999 Os\n0.241290 0.818912 0.499999 Os\n0.507478 0.189342 0.000000 Zr\n0.760804 0.445980 0.000000 Zr\n0.428610 0.857151 0.000000 Zr\n0.017367 0.936110 0.000000 Zr\n0.016303 0.191606 0.499999 Zr\n0.506431 0.444837 0.499999 Zr\n0.095188 0.523783 0.499999 Zr\n0.762992 0.934963 0.499999 Zr\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Os",
"Zr"
],
"chemical_system": "Os-Zr",
"density": 11.648959910554614,
"density_atomic": 0.05248707592807061,
"volume": 266.73232891056637,
"volume_molar": 11.473568785300344,
"formula_full": "Zr8 Os6",
"formula_reduced": "Zr4Os3",
"formula_anonymous": "A3B4",
"formation_energy": -0.198012767857142,
"spacegroup": 176
},
{
"id": "oqmd-1018158",
"created_at": "2022-09-04T15:28:08.745505Z",
"updated_at": "2022-09-04T15:28:08.745527Z",
"structure_string": "Zr8 Os4 Ru4\n1.0\n6.556859 0.000000 0.000000\n0.000000 4.638713 0.000000\n0.000000 0.000001 9.275634\nOs Ru Zr\n4 4 8\ndirect\n0.749929 0.250000 0.125002 Os\n0.249929 0.750001 0.374999 Os\n0.750071 0.250000 0.625002 Os\n0.250071 0.750001 0.874998 Os\n0.249947 0.250000 0.125004 Ru\n0.749948 0.750001 0.374996 Ru\n0.250053 0.250000 0.625004 Ru\n0.750053 0.750001 0.874996 Ru\n0.999860 0.750001 0.124990 Zr\n0.499896 0.750001 0.125006 Zr\n0.999895 0.250000 0.374994 Zr\n0.499860 0.250000 0.375010 Zr\n0.500140 0.750001 0.624990 Zr\n0.000104 0.750001 0.625006 Zr\n0.500104 0.250000 0.874994 Zr\n0.000140 0.250000 0.875010 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Os",
"Ru",
"Zr"
],
"chemical_system": "Os-Ru-Zr",
"density": 11.153714574261729,
"density_atomic": 0.05671305351054136,
"volume": 282.1219985452917,
"volume_molar": 10.61861491707664,
"formula_full": "Zr8 Os4 Ru4",
"formula_reduced": "Zr2OsRu",
"formula_anonymous": "ABC2",
"formation_energy": -0.592695013125001,
"spacegroup": 225
},
{
"id": "oqmd-1018651",
"created_at": "2022-09-04T15:28:22.176688Z",
"updated_at": "2022-09-04T15:28:22.176713Z",
"structure_string": "Zr8 Os4 Ru4\n1.0\n6.558291 0.000000 0.000000\n0.000000 6.557650 -0.000000\n0.000000 -0.000000 6.558349\nOs Ru Zr\n4 4 8\ndirect\n0.000000 0.250000 0.000000 Os\n0.000000 0.750000 0.000000 Os\n0.499981 0.750000 0.499984 Os\n0.500019 0.250000 0.500016 Os\n0.500030 0.250000 0.000000 Ru\n0.499970 0.750000 0.000000 Ru\n0.000000 0.750000 0.499992 Ru\n0.000000 0.250000 0.500008 Ru\n0.250093 0.000000 0.249811 Zr\n0.250093 0.499978 0.249811 Zr\n0.750090 0.000000 0.250188 Zr\n0.750090 0.500021 0.250188 Zr\n0.249910 0.000000 0.749812 Zr\n0.249910 0.499979 0.749812 Zr\n0.749909 0.000000 0.750189 Zr\n0.749909 0.500022 0.750189 Zr\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Os",
"Ru",
"Zr"
],
"chemical_system": "Os-Ru-Zr",
"density": 11.156373313144359,
"density_atomic": 0.05672657234317036,
"volume": 282.0547644445563,
"volume_molar": 10.61608433446101,
"formula_full": "Zr8 Os4 Ru4",
"formula_reduced": "Zr2OsRu",
"formula_anonymous": "ABC2",
"formation_energy": -0.58900073,
"spacegroup": 123
},
{
"id": "oqmd-757431",
"created_at": "2022-09-04T15:22:47.069492Z",
"updated_at": "2022-09-04T15:22:47.069509Z",
"structure_string": "Zr8 Os4\n1.0\n4.677696 0.000000 0.000000\n0.000000 10.537861 0.000000\n0.000000 0.000000 4.674977\nOs Zr\n4 8\ndirect\n0.916594 0.000000 0.000000 Os\n0.416598 0.500000 0.000000 Os\n0.416727 0.000000 0.500000 Os\n0.916729 0.500000 0.500000 Os\n0.416611 0.153137 0.000000 Zr\n0.916611 0.346863 0.000000 Zr\n0.916611 0.653137 0.000000 Zr\n0.416611 0.846863 0.000000 Zr\n0.916710 0.153137 0.500000 Zr\n0.416712 0.346863 0.500000 Zr\n0.416712 0.653137 0.500000 Zr\n0.916710 0.846863 0.500000 Zr\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Os",
"Zr"
],
"chemical_system": "Os-Zr",
"density": 10.74184562718404,
"density_atomic": 0.05207356464141796,
"volume": 230.4432216736611,
"volume_molar": 11.564679317555582,
"formula_full": "Zr8 Os4",
"formula_reduced": "Zr2Os",
"formula_anonymous": "AB2",
"formation_energy": -0.325928990833333,
"spacegroup": 139
}
]
}