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{
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{
"id": "oqmd-694464",
"created_at": "2022-09-04T15:18:01.921899Z",
"updated_at": "2022-09-04T15:18:01.921935Z",
"structure_string": "Co4 O11\n1.0\n-4.779691 -8.232442 0.118981\n-2.382670 4.111847 0.028885\n1.704951 0.017023 -4.195592\nCo O\n4 11\ndirect\n0.082457 0.834419 0.000661 Co\n0.413712 0.191800 0.018137 Co\n0.607388 0.837883 0.026697 Co\n0.920428 0.167241 0.995790 Co\n0.593852 0.197273 0.202900 O\n0.464104 0.604398 0.218479 O\n0.967943 0.580105 0.226081 O\n0.290635 0.938516 0.233097 O\n0.116542 0.228215 0.234820 O\n0.804517 0.948678 0.255796 O\n0.209235 0.034889 0.755899 O\n0.887247 0.774589 0.759082 O\n0.517827 0.418835 0.762321 O\n0.032483 0.416291 0.771819 O\n0.704242 0.052093 0.772162 O\n",
"nsites": 15,
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"elements": [
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"chemical_system": "Co-O",
"density": 4.181247061330866,
"density_atomic": 0.09173593854672728,
"volume": 163.51279812065684,
"volume_molar": 6.564647242293726,
"formula_full": "Co4 O11",
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"spacegroup": 1
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{
"id": "oqmd-694485",
"created_at": "2022-09-04T15:18:01.951761Z",
"updated_at": "2022-09-04T15:18:01.951793Z",
"structure_string": "Ru4 O11\n1.0\n-5.227456 -9.197740 -0.072028\n-2.626316 4.604795 0.057747\n1.793926 -0.046241 -4.327370\nO Ru\n11 4\ndirect\n0.295778 0.979339 0.222175 O\n0.985897 0.603224 0.224229 O\n0.098433 0.208843 0.235614 O\n0.802226 0.002403 0.238546 O\n0.581339 0.152158 0.273883 O\n0.388193 0.736972 0.702796 O\n0.206137 0.010893 0.738990 O\n0.911884 0.831574 0.745968 O\n0.015063 0.426892 0.752893 O\n0.706880 0.034899 0.763108 O\n0.524555 0.460030 0.934476 O\n0.602074 0.881646 0.023930 Ru\n0.390879 0.058505 0.927359 Ru\n0.077826 0.843779 0.989603 Ru\n0.929054 0.190421 0.996272 Ru\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
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],
"chemical_system": "O-Ru",
"density": 4.625463648679744,
"density_atomic": 0.07200535088004748,
"volume": 208.3178516133926,
"volume_molar": 8.363462834910957,
"formula_full": "Ru4 O11",
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"formula_anonymous": "A4B11",
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"spacegroup": 1
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{
"id": "oqmd-694486",
"created_at": "2022-09-04T15:18:01.939761Z",
"updated_at": "2022-09-04T15:18:01.939790Z",
"structure_string": "Ru4 O11\n1.0\n-5.227568 -9.059583 -0.016979\n-2.712385 4.588469 0.000342\n1.800491 -0.023520 -4.316370\nO Ru\n11 4\ndirect\n0.774832 0.955642 0.228741 O\n0.475150 0.596824 0.231435 O\n0.280296 0.987720 0.232054 O\n0.582270 0.203668 0.245835 O\n0.005211 0.544685 0.248836 O\n0.412551 0.845079 0.739692 O\n0.206727 0.021700 0.741479 O\n0.040080 0.374747 0.746168 O\n0.504143 0.438059 0.758591 O\n0.711987 0.054055 0.773259 O\n0.938515 0.846827 0.884066 O\n0.900255 0.150813 0.005036 Ru\n0.567631 0.843083 0.006077 Ru\n0.088270 0.753887 0.932540 Ru\n0.417771 0.194589 0.992471 Ru\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Ru"
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"chemical_system": "O-Ru",
"density": 4.594214123174382,
"density_atomic": 0.07151888439371139,
"volume": 209.73481517727564,
"volume_molar": 8.420350528467589,
"formula_full": "Ru4 O11",
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"formula_anonymous": "A4B11",
"formation_energy": -0.929292956311086,
"spacegroup": 1
},
{
"id": "oqmd-694353",
"created_at": "2022-09-04T15:18:02.396926Z",
"updated_at": "2022-09-04T15:18:02.396963Z",
"structure_string": "Li8 Mn2 Ge2 O11\n1.0\n-5.061470 -8.713285 -0.055617\n-2.498336 4.338350 0.032474\n1.711225 -0.027256 -4.734115\nGe Li Mn O\n2 8 2 11\ndirect\n0.584002 0.836671 0.985902 Ge\n0.062953 0.821099 0.990839 Ge\n0.351322 0.412929 0.489532 Li\n0.668339 0.670275 0.494062 Li\n0.997309 0.984097 0.496335 Li\n0.817363 0.321621 0.504070 Li\n0.524356 0.038804 0.522063 Li\n0.156559 0.617376 0.532152 Li\n0.247324 0.457347 0.977425 Li\n0.740447 0.497706 0.990182 Li\n0.916047 0.171771 0.008939 Mn\n0.420843 0.173626 0.986040 Mn\n0.464357 0.582687 0.209836 O\n0.783458 0.932273 0.224669 O\n0.606149 0.215546 0.224905 O\n0.983046 0.597988 0.247046 O\n0.134205 0.209639 0.257065 O\n0.534425 0.441711 0.738930 O\n0.700331 0.075303 0.765652 O\n0.885372 0.765151 0.765918 O\n0.384265 0.776205 0.766098 O\n0.205204 0.034391 0.796255 O\n0.044777 0.432896 0.800069 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ge",
"Li",
"Mn",
"O"
],
"chemical_system": "Ge-Li-Mn-O",
"density": 3.905417177073184,
"density_atomic": 0.11114883398955577,
"volume": 206.9297461290617,
"volume_molar": 5.418087211392498,
"formula_full": "Li8 Mn2 Ge2 O11",
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"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
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{
"id": "oqmd-694478",
"created_at": "2022-09-04T15:18:02.511711Z",
"updated_at": "2022-09-04T15:18:02.511731Z",
"structure_string": "Pd4 O11\n1.0\n-5.088180 -9.274183 1.105738\n-2.605266 4.665271 0.501504\n2.644407 0.005226 -4.099631\nO Pd\n11 4\ndirect\n0.498067 0.680742 0.283274 O\n0.339474 0.032229 0.293559 O\n0.014957 0.676827 0.308984 O\n0.703420 0.403128 0.314079 O\n0.849942 0.012080 0.320941 O\n0.320113 0.656535 0.662849 O\n0.643846 0.964067 0.675919 O\n0.483434 0.313863 0.685853 O\n0.797637 0.590504 0.698748 O\n0.148317 0.969480 0.700258 O\n0.992957 0.289133 0.714943 O\n0.073428 0.843614 0.009864 Pd\n0.937954 0.158554 0.036093 Pd\n0.575382 0.840612 0.988680 Pd\n0.417964 0.162417 0.991483 Pd\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Pd"
],
"chemical_system": "O-Pd",
"density": 5.862320506358515,
"density_atomic": 0.08801382763902889,
"volume": 170.4277657542574,
"volume_molar": 6.842266631896304,
"formula_full": "Pd4 O11",
"formula_reduced": "Pd4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.305457466311087,
"spacegroup": 1
},
{
"id": "oqmd-694435",
"created_at": "2022-09-04T15:18:02.117694Z",
"updated_at": "2022-09-04T15:18:02.117711Z",
"structure_string": "Pd2 O5\n1.0\n-2.678409 -4.811159 0.450301\n-2.577220 4.765676 0.522764\n2.702839 -0.016769 -3.747267\nO Pd\n5 2\ndirect\n0.048666 0.695847 0.306225 O\n0.382579 0.390777 0.311843 O\n0.840647 0.242854 0.548402 O\n0.614019 0.630005 0.738818 O\n0.354255 0.001321 0.741063 O\n0.203686 0.841211 0.019776 Pd\n0.859675 0.172491 0.022860 Pd\n",
"nsites": 7,
"nelements": 2,
"elements": [
"O",
"Pd"
],
"chemical_system": "O-Pd",
"density": 5.952340945220254,
"density_atomic": 0.08568618216007799,
"volume": 81.69345189079233,
"volume_molar": 7.028135235094851,
"formula_full": "Pd2 O5",
"formula_reduced": "Pd2O5",
"formula_anonymous": "A2B5",
"formation_energy": -0.311428527056253,
"spacegroup": 1
},
{
"id": "oqmd-694477",
"created_at": "2022-09-04T15:18:02.172791Z",
"updated_at": "2022-09-04T15:18:02.172828Z",
"structure_string": "Pd4 O11\n1.0\n-5.274729 -9.465495 0.967842\n-2.518013 4.678896 0.593349\n2.667240 -0.018479 -4.090973\nO Pd\n11 4\ndirect\n0.687920 0.384094 0.297130 O\n0.510497 0.693994 0.306204 O\n0.852072 0.035342 0.308731 O\n0.203716 0.406352 0.316041 O\n0.025739 0.701993 0.316066 O\n0.426592 0.261100 0.602225 O\n0.794934 0.588658 0.688382 O\n0.655600 0.969722 0.700022 O\n0.303761 0.615225 0.704054 O\n0.998478 0.313536 0.705768 O\n0.164310 0.990143 0.716420 O\n0.925444 0.152543 0.000106 Pd\n0.421951 0.171574 0.009505 Pd\n0.105772 0.864901 0.031376 Pd\n0.574984 0.825341 0.986961 Pd\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
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],
"chemical_system": "O-Pd",
"density": 5.829111085592782,
"density_atomic": 0.08751523868741888,
"volume": 171.39872123957753,
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"formula_full": "Pd4 O11",
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"formula_anonymous": "A4B11",
"formation_energy": -0.308402236311087,
"spacegroup": 1
},
{
"id": "oqmd-694429",
"created_at": "2022-09-04T15:18:02.249507Z",
"updated_at": "2022-09-04T15:18:02.249542Z",
"structure_string": "Mo2 O5\n1.0\n-2.749922 -4.683176 0.003780\n-2.195813 4.298077 0.069886\n1.731735 0.112460 -4.524810\nMo O\n2 5\ndirect\n0.208747 0.870769 0.067800 Mo\n0.814848 0.126601 0.932036 Mo\n0.583599 0.984087 0.252581 O\n0.118715 0.145615 0.266311 O\n0.850887 0.808525 0.729962 O\n0.031424 0.434369 0.749246 O\n0.436216 0.050731 0.776831 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mo",
"O"
],
"chemical_system": "Mo-O",
"density": 4.540206257014903,
"density_atomic": 0.07039666032079817,
"volume": 99.43653531433084,
"volume_molar": 8.554583033565873,
"formula_full": "Mo2 O5",
"formula_reduced": "Mo2O5",
"formula_anonymous": "A2B5",
"formation_energy": -1.7831528199134,
"spacegroup": 1
},
{
"id": "oqmd-694367",
"created_at": "2022-09-04T15:18:02.190483Z",
"updated_at": "2022-09-04T15:18:02.190506Z",
"structure_string": "Li8 Mn2 Cr2 O11\n1.0\n-4.966377 -8.599502 0.011048\n-2.521249 4.321955 0.009992\n1.713485 -0.009941 -4.710339\nCr Li Mn O\n2 8 2 11\ndirect\n0.071499 0.825527 0.988219 Cr\n0.586602 0.829665 0.998106 Cr\n0.750817 0.503610 0.002991 Li\n0.998519 0.994741 0.497848 Li\n0.666527 0.657804 0.498942 Li\n0.829175 0.342506 0.499459 Li\n0.333717 0.383578 0.506157 Li\n0.525123 0.009967 0.519018 Li\n0.152236 0.624550 0.525581 Li\n0.246128 0.457409 0.978129 Li\n0.918887 0.175965 0.004278 Mn\n0.419513 0.170674 0.986912 Mn\n0.458742 0.566459 0.224752 O\n0.786790 0.934398 0.227306 O\n0.606457 0.213827 0.231944 O\n0.115285 0.234540 0.237551 O\n0.967407 0.577091 0.239149 O\n0.539564 0.444645 0.750692 O\n0.212492 0.057335 0.764208 O\n0.881652 0.779630 0.766297 O\n0.387035 0.777930 0.766488 O\n0.718345 0.085416 0.776235 O\n0.039704 0.418585 0.783247 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Cr",
"Li",
"Mn",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 3.643236179709825,
"density_atomic": 0.11329895521055788,
"volume": 203.0027545907742,
"volume_molar": 5.3152659252755585,
"formula_full": "Li8 Mn2 Cr2 O11",
"formula_reduced": "Li8Mn2Cr2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.14298594206994,
"spacegroup": 1
},
{
"id": "oqmd-694473",
"created_at": "2022-09-04T15:18:02.621027Z",
"updated_at": "2022-09-04T15:18:02.621052Z",
"structure_string": "Rh4 O11\n1.0\n-5.220217 -9.304348 0.021033\n-2.612029 4.651307 0.168790\n1.919514 -0.073605 -4.210573\nO Rh\n11 4\ndirect\n0.797248 0.965374 0.227818 O\n0.990883 0.579671 0.245580 O\n0.304541 0.987903 0.246877 O\n0.616929 0.250472 0.253572 O\n0.104525 0.190041 0.272446 O\n0.414928 0.843122 0.693428 O\n0.711795 0.998026 0.721802 O\n0.896961 0.758153 0.730747 O\n0.187419 0.979771 0.738904 O\n0.020408 0.379833 0.757268 O\n0.450883 0.486513 0.899557 O\n0.609734 0.916356 0.000000 Rh\n0.933147 0.151736 0.001021 Rh\n0.402503 0.123851 0.976338 Rh\n0.074631 0.806822 0.995597 Rh\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Rh"
],
"chemical_system": "O-Rh",
"density": 4.847198407967006,
"density_atomic": 0.07451432803117353,
"volume": 201.30356666069184,
"volume_molar": 8.081856092804863,
"formula_full": "Rh4 O11",
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"spacegroup": 1
},
{
"id": "oqmd-694365",
"created_at": "2022-09-04T15:18:02.152963Z",
"updated_at": "2022-09-04T15:18:02.152991Z",
"structure_string": "Li8 Mn2 Ga2 O11\n1.0\n-5.110435 -8.692969 0.006437\n-2.498037 4.313801 0.034249\n1.750509 -0.005907 -4.715545\nGa Li Mn O\n2 8 2 11\ndirect\n0.079222 0.829103 0.004209 Ga\n0.601532 0.862682 0.973258 Ga\n0.707648 0.693012 0.485721 Li\n0.994728 0.000364 0.494485 Li\n0.158127 0.642453 0.498153 Li\n0.837403 0.340043 0.500035 Li\n0.507302 0.066238 0.520933 Li\n0.306377 0.297677 0.528513 Li\n0.229775 0.482777 0.991052 Li\n0.755813 0.510042 0.994771 Li\n0.406498 0.121799 0.987965 Mn\n0.920040 0.170719 0.997508 Mn\n0.791623 0.932743 0.221962 O\n0.603435 0.214932 0.230774 O\n0.961845 0.568980 0.231737 O\n0.300208 0.943569 0.239459 O\n0.113226 0.235033 0.239580 O\n0.715426 0.070863 0.740731 O\n0.385281 0.763533 0.761149 O\n0.886598 0.777755 0.763181 O\n0.034463 0.412099 0.772680 O\n0.218874 0.079332 0.790209 O\n0.521931 0.416799 0.799260 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ga",
"Li",
"Mn",
"O"
],
"chemical_system": "Ga-Li-Mn-O",
"density": 3.8800641159755784,
"density_atomic": 0.11176707877713185,
"volume": 205.78510462694427,
"volume_molar": 5.3881168103251555,
"formula_full": "Li8 Mn2 Ga2 O11",
"formula_reduced": "Li8Mn2Ga2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.06220206083,
"spacegroup": 1
},
{
"id": "oqmd-694459",
"created_at": "2022-09-04T15:18:02.211423Z",
"updated_at": "2022-09-04T15:18:02.211459Z",
"structure_string": "Cr4 O11\n1.0\n-5.160945 -8.303237 0.185901\n-2.619934 4.174770 0.051280\n1.893682 0.013854 -4.432562\nCr O\n4 11\ndirect\n0.438277 0.223642 0.037203 Cr\n0.868254 0.110650 0.043881 Cr\n0.116688 0.826906 0.900384 Cr\n0.546030 0.793842 0.955823 Cr\n0.988244 0.494858 0.206813 O\n0.462078 0.599473 0.214793 O\n0.281527 0.986660 0.218177 O\n0.597466 0.216483 0.244423 O\n0.784725 0.956248 0.273577 O\n0.212432 0.051801 0.717661 O\n0.059237 0.459036 0.726276 O\n0.387538 0.787625 0.739356 O\n0.700430 0.030575 0.772973 O\n0.527043 0.418574 0.785136 O\n0.953981 0.891523 0.904859 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cr",
"O"
],
"chemical_system": "Cr-O",
"density": 3.3620449316929,
"density_atomic": 0.07909327502955664,
"volume": 189.64949920703876,
"volume_molar": 7.613973195255306,
"formula_full": "Cr4 O11",
"formula_reduced": "Cr4O11",
"formula_anonymous": "A4B11",
"formation_energy": -1.46668088011356,
"spacegroup": 1
}
]
}