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=spacegroup&page=17",
"previous": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=15",
"results": [
{
"id": "oqmd-691943",
"created_at": "2022-09-04T15:17:40.016201Z",
"updated_at": "2022-09-04T15:17:40.016245Z",
"structure_string": "Ce4 Mn4 O11\n1.0\n5.527945 -0.072029 0.015735\n-0.073251 5.745130 0.025338\n0.022732 0.035237 7.939734\nCe Mn O\n4 4 11\ndirect\n0.502878 0.568893 0.257849 Ce\n0.007904 0.040952 0.266009 Ce\n0.473195 0.449880 0.734554 Ce\n0.011105 0.939215 0.753650 Ce\n0.988087 0.495962 0.499664 Mn\n0.504063 0.006312 0.504095 Mn\n0.498063 0.990995 0.997043 Mn\n0.007486 0.500773 0.999102 Mn\n0.791968 0.807270 0.053516 O\n0.432222 0.992416 0.241291 O\n0.072601 0.463691 0.242533 O\n0.702310 0.306883 0.449411 O\n0.788521 0.791823 0.461196 O\n0.281547 0.698477 0.526986 O\n0.196872 0.200203 0.545933 O\n0.897864 0.516929 0.760255 O\n0.598329 0.041927 0.762809 O\n0.308142 0.693726 0.946484 O\n0.218972 0.197416 0.956725 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ce",
"Mn",
"O"
],
"chemical_system": "Ce-Mn-O",
"density": 6.298208038218034,
"density_atomic": 0.0753647763856723,
"volume": 252.10716346810682,
"volume_molar": 7.990656973732996,
"formula_full": "Ce4 Mn4 O11",
"formula_reduced": "Ce4Mn4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.7973291791323,
"spacegroup": 1
},
{
"id": "oqmd-692105",
"created_at": "2022-09-04T15:17:39.974902Z",
"updated_at": "2022-09-04T15:17:39.974929Z",
"structure_string": "Pm4 Fe4 O11\n1.0\n5.393054 -0.070569 0.022273\n-0.073756 5.697758 0.013909\n0.032502 0.018288 7.679283\nFe O Pm\n4 11 4\ndirect\n0.986029 0.496257 0.500373 Fe\n0.503738 0.004735 0.502476 Fe\n0.507122 0.002050 0.996057 Fe\n0.999736 0.494579 0.999623 Fe\n0.807959 0.818160 0.052834 O\n0.085421 0.466842 0.250805 O\n0.413469 0.977057 0.251727 O\n0.688256 0.304108 0.435549 O\n0.794813 0.797591 0.453135 O\n0.292659 0.702233 0.545085 O\n0.190676 0.195787 0.552367 O\n0.610044 0.045475 0.748371 O\n0.890063 0.519202 0.752445 O\n0.214387 0.191599 0.952340 O\n0.324958 0.683568 0.953521 O\n0.507301 0.578901 0.245044 Pm\n0.001357 0.055838 0.256592 Pm\n0.466410 0.439205 0.740516 Pm\n0.016167 0.927298 0.760627 Pm\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Fe",
"O",
"Pm"
],
"chemical_system": "Fe-O-Pm",
"density": 6.893214000636617,
"density_atomic": 0.08053375712314213,
"volume": 235.92591080716102,
"volume_molar": 7.477784441115416,
"formula_full": "Pm4 Fe4 O11",
"formula_reduced": "Pm4Fe4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.64794537570123,
"spacegroup": 1
},
{
"id": "oqmd-691904",
"created_at": "2022-09-04T15:17:39.986551Z",
"updated_at": "2022-09-04T15:17:39.986569Z",
"structure_string": "Ba4 Pd4 O11\n1.0\n5.831271 0.071003 0.012361\n0.069738 5.790395 -0.008495\n0.017824 -0.012476 8.095004\nBa O Pd\n4 11 4\ndirect\n0.500292 0.515545 0.253356 Ba\n0.016076 0.997690 0.256819 Ba\n0.486269 0.494513 0.741609 Ba\n0.004972 0.979862 0.745307 Ba\n0.765907 0.767025 0.033485 O\n0.492576 0.056155 0.244006 O\n0.029603 0.454197 0.247085 O\n0.771833 0.768878 0.471836 O\n0.729228 0.270669 0.477353 O\n0.269316 0.729669 0.502252 O\n0.229874 0.227506 0.533272 O\n0.560607 0.008498 0.754219 O\n0.933027 0.482586 0.755862 O\n0.235208 0.235005 0.963414 O\n0.257834 0.741163 0.992548 O\n0.504839 0.000971 0.500956 Pd\n0.995938 0.494110 0.503056 Pd\n0.495237 0.992522 0.999336 Pd\n0.002926 0.501591 0.999788 Pd\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ba",
"O",
"Pd"
],
"chemical_system": "Ba-O-Pd",
"density": 6.993517337635838,
"density_atomic": 0.06952353624104253,
"volume": 273.2887454706819,
"volume_molar": 8.662017333411887,
"formula_full": "Ba4 Pd4 O11",
"formula_reduced": "Ba4Pd4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -1.57505762129823,
"spacegroup": 1
},
{
"id": "oqmd-692240",
"created_at": "2022-09-04T15:17:41.766163Z",
"updated_at": "2022-09-04T15:17:41.766183Z",
"structure_string": "Yb4 Mn4 O11\n1.0\n5.248668 0.016010 0.019107\n0.016456 5.356644 0.004563\n0.027233 0.005996 7.432218\nMn O Yb\n4 11 4\ndirect\n0.502776 0.006408 0.501517 Mn\n0.990794 0.496314 0.501694 Mn\n0.496404 0.986264 0.995033 Mn\n0.014083 0.505467 0.997972 Mn\n0.801666 0.796859 0.046111 O\n0.439829 0.007328 0.246039 O\n0.064253 0.464419 0.247307 O\n0.699007 0.298107 0.456477 O\n0.787031 0.789903 0.462116 O\n0.285345 0.713822 0.527333 O\n0.200596 0.207312 0.544372 O\n0.590806 0.035998 0.753955 O\n0.906839 0.513370 0.755846 O\n0.202982 0.201367 0.957370 O\n0.315964 0.688681 0.958982 O\n0.499669 0.563731 0.262488 Yb\n0.009841 0.031567 0.268450 Yb\n0.477012 0.454344 0.726518 Yb\n0.012165 0.944214 0.746973 Yb\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Mn",
"O",
"Yb"
],
"chemical_system": "Mn-O-Yb",
"density": 8.645500259067864,
"density_atomic": 0.09092921196852344,
"volume": 208.95375192052853,
"volume_molar": 6.622888981029175,
"formula_full": "Yb4 Mn4 O11",
"formula_reduced": "Yb4Mn4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.62640236807967,
"spacegroup": 1
},
{
"id": "oqmd-692076",
"created_at": "2022-09-04T15:17:40.057678Z",
"updated_at": "2022-09-04T15:17:40.057697Z",
"structure_string": "Nd4 Rh4 O11\n1.0\n5.354822 -0.038044 0.036526\n-0.041507 5.812535 -0.018066\n0.052779 -0.024072 7.785828\nNd O Rh\n4 11 4\ndirect\n0.523218 0.581112 0.240993 Nd\n0.992058 0.067355 0.253002 Nd\n0.461859 0.427229 0.744623 Nd\n0.026791 0.918278 0.759093 Nd\n0.820560 0.807323 0.051635 O\n0.107570 0.462958 0.249081 O\n0.402482 0.966819 0.251650 O\n0.683308 0.301811 0.430772 O\n0.809671 0.798812 0.442451 O\n0.177612 0.191915 0.553484 O\n0.310514 0.696808 0.554868 O\n0.622121 0.048159 0.749332 O\n0.876129 0.532740 0.751751 O\n0.191654 0.198504 0.949335 O\n0.320500 0.693148 0.957606 O\n0.977460 0.484341 0.002310 Rh\n0.519340 0.019368 0.002815 Rh\n0.992272 0.496540 0.499281 Rh\n0.501277 0.001815 0.501473 Rh\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Nd",
"O",
"Rh"
],
"chemical_system": "Nd-O-Rh",
"density": 7.980873514581507,
"density_atomic": 0.07841232585612362,
"volume": 242.30884357215115,
"volume_molar": 7.680094544127977,
"formula_full": "Nd4 Rh4 O11",
"formula_reduced": "Nd4Rh4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.26351156182454,
"spacegroup": 1
},
{
"id": "oqmd-691889",
"created_at": "2022-09-04T15:17:40.190273Z",
"updated_at": "2022-09-04T15:17:40.190294Z",
"structure_string": "Ac4 Rh4 O11\n1.0\n5.710824 -0.035647 0.059427\n-0.037577 5.651429 -0.048604\n0.085958 -0.066575 8.045533\nAc O Rh\n4 11 4\ndirect\n0.506511 0.549033 0.241724 Ac\n0.008340 0.033470 0.251268 Ac\n0.482406 0.460191 0.744892 Ac\n0.009624 0.948623 0.757957 Ac\n0.792155 0.792750 0.044819 O\n0.080038 0.485530 0.249433 O\n0.430882 0.992751 0.251442 O\n0.701420 0.296916 0.446162 O\n0.794799 0.791878 0.454949 O\n0.297057 0.701341 0.537412 O\n0.199767 0.201542 0.543301 O\n0.589873 0.017417 0.749594 O\n0.906813 0.503737 0.752356 O\n0.214320 0.212041 0.956931 O\n0.290892 0.715624 0.970458 O\n0.518236 0.020291 0.001828 Rh\n0.980797 0.482060 0.002296 Rh\n0.994733 0.494733 0.499378 Rh\n0.502941 0.003289 0.499853 Rh\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Ac",
"O",
"Rh"
],
"chemical_system": "Ac-O-Rh",
"density": 9.566517756126665,
"density_atomic": 0.07318776030766473,
"volume": 259.60625000858494,
"volume_molar": 8.228344103828684,
"formula_full": "Ac4 Rh4 O11",
"formula_reduced": "Ac4Rh4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.26633114129823,
"spacegroup": 1
},
{
"id": "oqmd-692004",
"created_at": "2022-09-04T15:17:40.221424Z",
"updated_at": "2022-09-04T15:17:40.221461Z",
"structure_string": "Eu4 Sn4 O11\n1.0\n5.562380 -0.109359 0.006282\n-0.112284 5.666096 -0.014577\n0.009004 -0.020526 8.053258\nEu O Sn\n4 11 4\ndirect\n0.505445 0.558121 0.246629 Eu\n0.004025 0.032967 0.254976 Eu\n0.472224 0.464572 0.748095 Eu\n0.019740 0.943756 0.754815 Eu\n0.793592 0.789341 0.047935 O\n0.088903 0.471524 0.252236 O\n0.416782 0.973369 0.252613 O\n0.699246 0.296875 0.435680 O\n0.795538 0.793526 0.453767 O\n0.296922 0.704212 0.546184 O\n0.200823 0.203083 0.548446 O\n0.905005 0.521742 0.746849 O\n0.597293 0.034107 0.747134 O\n0.212303 0.209141 0.954558 O\n0.292351 0.708932 0.957980 O\n0.979768 0.480961 0.001566 Sn\n0.518038 0.018722 0.001999 Sn\n0.994729 0.496026 0.499167 Sn\n0.503990 0.004274 0.501336 Sn\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Eu",
"O",
"Sn"
],
"chemical_system": "Eu-O-Sn",
"density": 8.238043141821812,
"density_atomic": 0.0748876134715055,
"volume": 253.71351975623367,
"volume_molar": 8.04157120361621,
"formula_full": "Eu4 Sn4 O11",
"formula_reduced": "Eu4Sn4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.59775763063532,
"spacegroup": 1
},
{
"id": "oqmd-692043",
"created_at": "2022-09-04T15:17:40.230037Z",
"updated_at": "2022-09-04T15:17:40.230069Z",
"structure_string": "La4 Rh4 O11\n1.0\n5.478514 -0.036810 0.058173\n-0.038967 5.749576 -0.028980\n0.083489 -0.039264 7.880633\nLa O Rh\n4 11 4\ndirect\n0.515097 0.570695 0.242100 La\n0.997469 0.055083 0.253080 La\n0.471496 0.438543 0.743689 La\n0.018748 0.930415 0.760031 La\n0.808886 0.802181 0.051796 O\n0.098182 0.470493 0.248428 O\n0.411968 0.976274 0.251383 O\n0.689751 0.300953 0.435344 O\n0.804897 0.796795 0.446135 O\n0.305881 0.697545 0.549379 O\n0.184993 0.195397 0.551150 O\n0.609911 0.038301 0.748450 O\n0.887808 0.523058 0.752364 O\n0.199667 0.201480 0.951083 O\n0.310552 0.699860 0.960587 O\n0.518293 0.018814 0.001662 Rh\n0.980077 0.484099 0.001673 Rh\n0.993450 0.496665 0.499133 Rh\n0.501036 0.002522 0.500354 Rh\n",
"nsites": 19,
"nelements": 3,
"elements": [
"La",
"O",
"Rh"
],
"chemical_system": "La-O-Rh",
"density": 7.649006173898987,
"density_atomic": 0.0765549252833758,
"volume": 248.18781978650722,
"volume_molar": 7.866431503536104,
"formula_full": "La4 Rh4 O11",
"formula_reduced": "La4Rh4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.31772276024559,
"spacegroup": 1
},
{
"id": "oqmd-692000",
"created_at": "2022-09-04T15:17:40.071551Z",
"updated_at": "2022-09-04T15:17:40.071570Z",
"structure_string": "Eu4 Rh4 O11\n1.0\n5.353238 0.008471 0.040626\n0.008789 5.642522 -0.030134\n0.058449 -0.041544 7.697341\nEu O Rh\n4 11 4\ndirect\n0.510999 0.569107 0.251302 Eu\n0.997490 0.052296 0.256620 Eu\n0.468368 0.443244 0.737391 Eu\n0.021135 0.932464 0.751644 Eu\n0.806675 0.803550 0.044361 O\n0.084354 0.469197 0.248928 O\n0.419273 0.981082 0.251008 O\n0.692053 0.300620 0.446392 O\n0.806019 0.799359 0.455177 O\n0.305173 0.698666 0.539326 O\n0.189709 0.197664 0.547385 O\n0.596678 0.036588 0.751578 O\n0.898750 0.518263 0.752801 O\n0.194942 0.202135 0.957837 O\n0.315095 0.694939 0.962779 O\n0.993760 0.496768 0.500236 Rh\n0.502935 0.002595 0.502221 Rh\n0.504084 0.001940 0.998336 Rh\n0.997462 0.499521 0.998928 Rh\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Eu",
"O",
"Rh"
],
"chemical_system": "Eu-O-Rh",
"density": 8.538791734332483,
"density_atomic": 0.08172628048505846,
"volume": 232.48335648254124,
"volume_molar": 7.368671037342747,
"formula_full": "Eu4 Rh4 O11",
"formula_reduced": "Eu4Rh4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -2.06490105392981,
"spacegroup": 1
},
{
"id": "oqmd-692178",
"created_at": "2022-09-04T15:17:40.237205Z",
"updated_at": "2022-09-04T15:17:40.237223Z",
"structure_string": "Sm4 Sc4 O11\n1.0\n5.521764 -0.018986 0.001910\n-0.019911 5.755994 -0.010367\n0.002790 -0.014267 7.949994\nO Sc Sm\n11 4 4\ndirect\n0.803883 0.799779 0.061594 O\n0.389830 0.957437 0.248194 O\n0.114922 0.454791 0.249062 O\n0.693444 0.303245 0.434607 O\n0.801503 0.800555 0.441230 O\n0.192477 0.196218 0.560423 O\n0.299512 0.701260 0.562424 O\n0.616574 0.048291 0.750276 O\n0.883212 0.543652 0.751276 O\n0.305793 0.697472 0.939003 O\n0.198708 0.198026 0.940107 O\n0.498968 0.999792 0.499447 Sc\n0.998808 0.499266 0.500205 Sc\n0.500279 0.998901 0.998879 Sc\n0.005123 0.499085 0.999813 Sc\n0.518602 0.561426 0.248127 Sm\n0.987656 0.053971 0.254674 Sm\n0.482286 0.441726 0.747532 Sm\n0.014125 0.941294 0.751611 Sm\n",
"nsites": 19,
"nelements": 3,
"elements": [
"O",
"Sc",
"Sm"
],
"chemical_system": "O-Sc-Sm",
"density": 6.290994649080542,
"density_atomic": 0.07519608786364151,
"volume": 252.67271928366898,
"volume_molar": 8.00858253546432,
"formula_full": "Sm4 Sc4 O11",
"formula_reduced": "Sm4Sc4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -3.59876619603507,
"spacegroup": 1
},
{
"id": "oqmd-692022",
"created_at": "2022-09-04T15:17:40.165555Z",
"updated_at": "2022-09-04T15:17:40.165581Z",
"structure_string": "K2 Ir2 O5\n1.0\n-2.940859 5.072624 0.201006\n2.045961 4.553729 0.260464\n-0.385176 2.923608 -5.590607\nIr K O\n2 2 5\ndirect\n0.813360 0.858273 0.497481 Ir\n0.173617 0.132672 0.503272 Ir\n0.674191 0.586541 0.101171 K\n0.321877 0.413562 0.933093 K\n0.116005 0.986611 0.290186 O\n0.553582 0.107288 0.292546 O\n0.069352 0.457456 0.676113 O\n0.461508 0.841198 0.695913 O\n0.849220 0.055779 0.699120 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ir",
"K",
"O"
],
"chemical_system": "Ir-K-O",
"density": 6.616853453905232,
"density_atomic": 0.06609111038828833,
"volume": 136.1756512657237,
"volume_molar": 9.111877111187336,
"formula_full": "K2 Ir2 O5",
"formula_reduced": "K2Ir2O5",
"formula_anonymous": "A2B2C5",
"formation_energy": -1.13991345659931,
"spacegroup": 1
},
{
"id": "oqmd-692012",
"created_at": "2022-09-04T15:17:40.148246Z",
"updated_at": "2022-09-04T15:17:40.148269Z",
"structure_string": "Gd4 Al4 O11\n1.0\n5.222445 -0.017435 0.003136\n-0.017878 5.286885 -0.002910\n0.004475 -0.004026 7.427085\nAl Gd O\n4 4 11\ndirect\n0.502308 0.001452 0.000000 Al\n0.996890 0.495620 0.000423 Al\n0.499879 0.999867 0.499304 Al\n0.999774 0.499986 0.499924 Al\n0.512123 0.538896 0.245918 Gd\n0.991345 0.040673 0.250914 Gd\n0.489574 0.458480 0.748862 Gd\n0.009614 0.957311 0.751780 Gd\n0.785083 0.785079 0.040285 O\n0.427628 0.988086 0.248826 O\n0.076378 0.485433 0.250084 O\n0.712899 0.287413 0.456719 O\n0.785233 0.786159 0.460234 O\n0.212354 0.212325 0.540842 O\n0.285236 0.714457 0.541651 O\n0.577828 0.018763 0.750713 O\n0.922571 0.512778 0.750788 O\n0.285916 0.713295 0.959395 O\n0.216500 0.214392 0.961245 O\n",
"nsites": 19,
"nelements": 3,
"elements": [
"Al",
"Gd",
"O"
],
"chemical_system": "Al-Gd-O",
"density": 7.3925566759595895,
"density_atomic": 0.09265452984490619,
"volume": 205.0628288957267,
"volume_molar": 6.4995643171255875,
"formula_full": "Gd4 Al4 O11",
"formula_reduced": "Gd4Al4O11",
"formula_anonymous": "A4B4C11",
"formation_energy": -3.39382615866665,
"spacegroup": 1
}
]
}