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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=52",
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{
"id": "oqmd-827999",
"created_at": "2022-09-04T15:23:13.692647Z",
"updated_at": "2022-09-04T15:23:13.692667Z",
"structure_string": "Gd4 Mg4 Zn4\n1.0\n6.407486 0.212323 -0.796023\n3.386778 5.667010 -0.200409\n-0.947130 0.250582 7.894401\nGd Mg Zn\n4 4 4\ndirect\n0.861924 0.381111 0.135056 Gd\n0.528135 0.579239 0.488870 Gd\n0.884151 0.029674 0.768735 Gd\n0.331049 0.145235 0.792089 Gd\n0.335284 0.862646 0.118431 Mg\n0.837958 0.896272 0.151713 Mg\n0.471477 0.111207 0.401442 Mg\n0.018110 0.604588 0.499112 Mg\n0.317634 0.444631 0.113249 Zn\n0.039636 0.067126 0.457179 Zn\n0.411373 0.568566 0.822517 Zn\n0.838467 0.616239 0.823414 Zn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Gd",
"Mg",
"Zn"
],
"chemical_system": "Gd-Mg-Zn",
"density": 5.934930879417178,
"density_atomic": 0.043416436204149776,
"volume": 276.39302184026405,
"volume_molar": 13.87064735503187,
"formula_full": "Gd4 Mg4 Zn4",
"formula_reduced": "GdMgZn",
"formula_anonymous": "ABC",
"formation_energy": -0.176159163055557,
"spacegroup": 1
},
{
"id": "oqmd-711538",
"created_at": "2022-09-04T15:19:11.156721Z",
"updated_at": "2022-09-04T15:19:11.156746Z",
"structure_string": "Fe4 O11\n1.0\n-4.993091 -8.502358 0.041874\n-2.489872 4.245584 0.173921\n1.870268 -0.079090 -4.206551\nFe O\n4 11\ndirect\n0.933337 0.186109 0.004446 Fe\n0.388690 0.062630 0.952854 Fe\n0.074237 0.827809 0.982879 Fe\n0.612058 0.888275 0.997591 Fe\n0.291047 0.962387 0.225462 O\n0.122656 0.244446 0.230129 O\n0.809543 0.990300 0.243992 O\n0.986385 0.620885 0.245053 O\n0.585418 0.162618 0.258232 O\n0.403966 0.762767 0.701179 O\n0.191881 0.990822 0.723017 O\n0.019651 0.395095 0.748228 O\n0.885139 0.771346 0.753733 O\n0.716384 0.058040 0.757980 O\n0.509157 0.455851 0.929624 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 3.7881404483583028,
"density_atomic": 0.08568190197399275,
"volume": 175.0661417921487,
"volume_molar": 7.028486321216254,
"formula_full": "Fe4 O11",
"formula_reduced": "Fe4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.656507129221551,
"spacegroup": 1
},
{
"id": "oqmd-711525",
"created_at": "2022-09-04T15:19:11.187213Z",
"updated_at": "2022-09-04T15:19:11.187234Z",
"structure_string": "Al4 O11\n1.0\n-6.442057 -9.144871 0.370468\n-2.444297 4.102501 -0.317014\n1.810986 0.416111 -2.868590\nAl O\n4 11\ndirect\n0.428418 0.209761 0.096988 Al\n0.142307 0.938573 0.104553 Al\n0.880121 0.080230 0.935652 Al\n0.599074 0.854514 0.981704 Al\n0.087699 0.283380 0.092991 O\n0.895738 0.485947 0.132313 O\n0.324632 0.829367 0.282928 O\n0.801328 0.971063 0.303527 O\n0.626210 0.241101 0.356635 O\n0.604550 0.949214 0.507253 O\n0.486220 0.421529 0.709906 O\n0.388105 0.816331 0.710629 O\n0.221497 0.066585 0.737508 O\n0.107381 0.496993 0.855440 O\n0.938636 0.742875 0.956283 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Al",
"O"
],
"chemical_system": "Al-O",
"density": 3.3388359581933225,
"density_atomic": 0.10622871766034049,
"volume": 141.20475451809122,
"volume_molar": 5.669032717927941,
"formula_full": "Al4 O11",
"formula_reduced": "Al4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.81597868697775,
"spacegroup": 1
},
{
"id": "oqmd-711573",
"created_at": "2022-09-04T15:19:12.419068Z",
"updated_at": "2022-09-04T15:19:12.419094Z",
"structure_string": "V2 O5\n1.0\n-2.479492 4.344035 -0.086889\n2.626660 4.429294 0.116812\n-0.125887 2.918131 -4.273492\nO V\n5 2\ndirect\n0.993497 0.545921 0.260159 O\n0.184990 0.960913 0.260869 O\n0.453375 0.895596 0.626804 O\n0.030968 0.425208 0.760378 O\n0.774163 0.044092 0.787097 O\n0.894676 0.759233 0.506352 V\n0.099003 0.156423 0.530809 V\n",
"nsites": 7,
"nelements": 2,
"elements": [
"O",
"V"
],
"chemical_system": "O-V",
"density": 3.1538519390786566,
"density_atomic": 0.07309796692283879,
"volume": 95.76189728216524,
"volume_molar": 8.238451783969435,
"formula_full": "V2 O5",
"formula_reduced": "V2O5",
"formula_anonymous": "A2B5",
"formation_energy": -2.16655478999471,
"spacegroup": 1
},
{
"id": "oqmd-711500",
"created_at": "2022-09-04T15:19:12.676955Z",
"updated_at": "2022-09-04T15:19:12.676971Z",
"structure_string": "Si2 O12\n1.0\n6.027141 -0.088788 0.179828\n-3.139933 4.433857 0.176695\n0.424274 0.397710 5.586723\nO Si\n12 2\ndirect\n0.563859 0.873816 0.020417 O\n0.997039 0.971842 0.183597 O\n0.371880 0.709025 0.187400 O\n0.661195 0.241915 0.268439 O\n0.412723 0.038893 0.355734 O\n0.857844 0.261138 0.450601 O\n0.575492 0.619581 0.534137 O\n0.043146 0.040504 0.681384 O\n0.627079 0.445424 0.699406 O\n0.327130 0.837556 0.782709 O\n0.449546 0.355108 0.927274 O\n0.078354 0.633407 0.944663 O\n0.878938 0.971432 0.456487 Si\n0.155837 0.000265 0.917613 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 2.8081539196050387,
"density_atomic": 0.09540286479991013,
"volume": 146.74611741861642,
"volume_molar": 6.312326964845684,
"formula_full": "Si2 O12",
"formula_reduced": "SiO6",
"formula_anonymous": "AB6",
"formation_energy": -1.07513520075322,
"spacegroup": 1
},
{
"id": "oqmd-711514",
"created_at": "2022-09-04T15:19:12.685002Z",
"updated_at": "2022-09-04T15:19:12.685028Z",
"structure_string": "Si4 O11\n1.0\n-4.961316 -8.741618 0.279872\n-2.269310 4.295760 0.480341\n2.113122 -0.097926 -3.954639\nO Si\n11 4\ndirect\n0.302265 0.048716 0.203198 O\n0.569047 0.106165 0.222406 O\n0.020098 0.684180 0.261451 O\n0.154461 0.341982 0.266754 O\n0.857637 0.105278 0.334849 O\n0.335349 0.660180 0.611251 O\n0.160469 0.928928 0.654146 O\n0.987215 0.365036 0.729383 O\n0.700040 0.961193 0.775694 O\n0.897229 0.786866 0.780929 O\n0.514323 0.445310 0.953095 O\n0.621626 0.868438 0.041473 Si\n0.400083 0.060418 0.959535 Si\n0.091983 0.885965 0.984663 Si\n0.922961 0.175457 0.999492 Si\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Si"
],
"chemical_system": "O-Si",
"density": 3.1676827914579784,
"density_atomic": 0.09923980021070258,
"volume": 151.14903464288025,
"volume_molar": 6.068271749050275,
"formula_full": "Si4 O11",
"formula_reduced": "Si4O11",
"formula_anonymous": "A4B11",
"formation_energy": -2.05604756897775,
"spacegroup": 1
},
{
"id": "oqmd-711655",
"created_at": "2022-09-04T15:19:12.865024Z",
"updated_at": "2022-09-04T15:19:12.865047Z",
"structure_string": "Ge4 O11\n1.0\n-5.401277 -8.965409 0.616760\n-2.548019 4.399969 -0.332312\n1.751084 0.323536 -4.042496\nGe O\n4 11\ndirect\n0.082842 0.833950 0.026244 Ge\n0.369415 0.081472 0.860282 Ge\n0.902522 0.172907 0.946650 Ge\n0.589968 0.834400 0.995134 Ge\n0.296262 0.006949 0.173733 O\n0.799810 0.983140 0.199360 O\n0.023623 0.551793 0.269782 O\n0.584504 0.028704 0.362385 O\n0.137292 0.177257 0.370799 O\n0.678426 0.023312 0.677190 O\n0.200132 0.156736 0.681668 O\n0.006167 0.462744 0.735424 O\n0.401802 0.792192 0.742113 O\n0.926616 0.878420 0.786423 O\n0.538372 0.441465 0.934688 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 4.125413166225252,
"density_atomic": 0.07987451850769249,
"volume": 187.7945592693043,
"volume_molar": 7.539501799212755,
"formula_full": "Ge4 O11",
"formula_reduced": "Ge4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.16707702564442,
"spacegroup": 1
},
{
"id": "oqmd-711628",
"created_at": "2022-09-04T15:19:12.870863Z",
"updated_at": "2022-09-04T15:19:12.870886Z",
"structure_string": "Ga4 O11\n1.0\n-5.807395 -8.927227 1.618200\n-2.351034 4.186238 -0.490906\n1.991382 0.506219 -3.822774\nGa O\n4 11\ndirect\n0.913852 0.186673 0.009366 Ga\n0.043215 0.844011 0.685641 Ga\n0.576515 0.787322 0.967917 Ga\n0.391585 0.094566 0.996170 Ga\n0.235278 0.913559 0.099199 O\n0.940802 0.605525 0.175326 O\n0.617408 0.066802 0.377871 O\n0.881770 0.029598 0.382244 O\n0.218767 0.419865 0.443095 O\n0.365060 0.757061 0.648983 O\n0.667858 0.915822 0.669913 O\n0.982964 0.342502 0.693812 O\n0.227327 0.254822 0.722202 O\n0.911724 0.772173 0.897233 O\n0.563827 0.406412 0.979392 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ga",
"O"
],
"chemical_system": "Ga-O",
"density": 4.576875392537699,
"density_atomic": 0.0908885662115139,
"volume": 165.03726073852158,
"volume_molar": 6.625850765414657,
"formula_full": "Ga4 O11",
"formula_reduced": "Ga4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.03595988031109,
"spacegroup": 1
},
{
"id": "oqmd-711591",
"created_at": "2022-09-04T15:19:12.887513Z",
"updated_at": "2022-09-04T15:19:12.887538Z",
"structure_string": "Zn2 O8\n1.0\n4.328281 -1.240943 -1.287087\n-0.894708 5.763688 -0.006338\n-0.760362 -0.083562 4.474182\nO Zn\n8 2\ndirect\n0.596687 0.873096 0.112962 O\n0.280240 0.359467 0.192592 O\n0.538959 0.933759 0.358482 O\n0.158899 0.441016 0.368506 O\n0.859028 0.553055 0.620296 O\n0.238547 0.057105 0.670568 O\n0.756356 0.651339 0.802134 O\n0.576230 0.134832 0.879712 O\n0.028546 0.748577 0.294252 Zn\n0.967750 0.246512 0.700506 Zn\n",
"nsites": 10,
"nelements": 2,
"elements": [
"O",
"Zn"
],
"chemical_system": "O-Zn",
"density": 4.259189071907798,
"density_atomic": 0.09910404926544093,
"volume": 100.9040505823928,
"volume_molar": 6.076583958613295,
"formula_full": "Zn2 O8",
"formula_reduced": "ZnO4",
"formula_anonymous": "AB4",
"formation_energy": -0.508961136703004,
"spacegroup": 1
},
{
"id": "oqmd-711604",
"created_at": "2022-09-04T15:19:12.938027Z",
"updated_at": "2022-09-04T15:19:12.938044Z",
"structure_string": "Cu4 O11\n1.0\n-4.956531 -9.169821 -0.328178\n-2.377217 4.544815 -0.417768\n1.211492 0.150403 -3.669780\nCu O\n4 11\ndirect\n0.417576 0.236188 0.034342 Cu\n0.557021 0.878145 0.072960 Cu\n0.077469 0.790151 0.896061 Cu\n0.930386 0.068379 0.979931 Cu\n0.260573 0.864666 0.129996 O\n0.105359 0.102406 0.190317 O\n0.958232 0.402587 0.277412 O\n0.554969 0.181471 0.291118 O\n0.747017 0.997470 0.380027 O\n0.045177 0.463194 0.593372 O\n0.901909 0.755025 0.693608 O\n0.768753 0.091483 0.712643 O\n0.351327 0.652433 0.794600 O\n0.282913 0.350880 0.799459 O\n0.576054 0.575517 0.900640 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cu",
"O"
],
"chemical_system": "Cu-O",
"density": 4.228846938191818,
"density_atomic": 0.08880073031412238,
"volume": 168.91752969755117,
"volume_molar": 6.781634271134224,
"formula_full": "Cu4 O11",
"formula_reduced": "Cu4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.246826492094286,
"spacegroup": 1
},
{
"id": "oqmd-711326",
"created_at": "2022-09-04T15:19:12.980762Z",
"updated_at": "2022-09-04T15:19:12.980785Z",
"structure_string": "Na4 Al2 O8\n1.0\n2.458466 -1.756448 -0.387318\n-4.558527 -2.597544 -4.566753\n6.930777 7.037534 -0.490681\nAl Na O\n2 4 8\ndirect\n0.076350 0.156958 0.226194 Al\n0.703045 0.164185 0.983824 Al\n0.385961 0.678505 0.129582 Na\n0.433635 0.159866 0.518760 Na\n0.252498 0.781452 0.545186 Na\n0.025339 0.650236 0.826098 Na\n0.567098 0.979695 0.067394 O\n0.223649 0.378237 0.168301 O\n0.955053 0.993816 0.310056 O\n0.627743 0.424803 0.415450 O\n0.601404 0.560196 0.606052 O\n0.861090 0.199085 0.708244 O\n0.188643 0.999766 0.842590 O\n0.848497 0.373196 0.902274 O\n",
"nsites": 14,
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"elements": [
"Al",
"Na",
"O"
],
"chemical_system": "Al-Na-O",
"density": 3.0916908574044335,
"density_atomic": 0.09516022310922664,
"volume": 147.12029399017428,
"volume_molar": 6.328422279010082,
"formula_full": "Na4 Al2 O8",
"formula_reduced": "Na2AlO4",
"formula_anonymous": "AB2C4",
"formation_energy": -1.80162114860262,
"spacegroup": 1
},
{
"id": "oqmd-711642",
"created_at": "2022-09-04T15:19:13.064792Z",
"updated_at": "2022-09-04T15:19:13.064822Z",
"structure_string": "B4 O11\n1.0\n-4.378441 -8.736388 0.771395\n-1.994743 4.264004 0.061647\n1.876510 0.205195 -3.938796\nB O\n4 11\ndirect\n0.092798 0.982186 0.041054 B\n0.969978 0.336761 0.067921 B\n0.277283 0.083504 0.673290 B\n0.629280 0.722433 0.939290 B\n0.768773 0.105819 0.004423 O\n0.417852 0.945039 0.115705 O\n0.704511 0.576092 0.148497 O\n0.046539 0.178894 0.166307 O\n0.116013 0.793137 0.282941 O\n0.640624 0.448938 0.367820 O\n0.917615 0.579742 0.664201 O\n0.436459 0.452888 0.685718 O\n0.926198 0.309666 0.687841 O\n0.354385 0.879432 0.780290 O\n0.229944 0.171050 0.920937 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"O"
],
"chemical_system": "B-O",
"density": 2.702014718267187,
"density_atomic": 0.11133077413766973,
"volume": 134.7336360156021,
"volume_molar": 5.409232807950409,
"formula_full": "B4 O11",
"formula_reduced": "B4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.54742251831109,
"spacegroup": 1
}
]
}