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{
"count": 1013513,
"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=34",
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"results": [
{
"id": "oqmd-694216",
"created_at": "2022-09-04T15:18:00.283644Z",
"updated_at": "2022-09-04T15:18:00.283664Z",
"structure_string": "Li8 Pu4 O11\n1.0\n-6.168218 -9.911878 -0.211069\n-2.826481 4.802820 0.128758\n2.022452 -0.069065 -5.013925\nLi O Pu\n8 11 4\ndirect\n0.191438 0.836097 0.457230 Li\n0.460596 0.939193 0.465996 Li\n0.930106 0.894906 0.488968 Li\n0.679372 0.644218 0.503546 Li\n0.382926 0.391196 0.512284 Li\n0.769946 0.286904 0.553905 Li\n0.230163 0.452554 0.815044 Li\n0.744273 0.507855 0.973281 Li\n0.294409 0.964617 0.243612 O\n0.780663 0.898046 0.264170 O\n0.003492 0.669631 0.273860 O\n0.486583 0.611114 0.280224 O\n0.609849 0.225017 0.282524 O\n0.387348 0.748307 0.741398 O\n0.860877 0.719784 0.752305 O\n0.041450 0.348075 0.753521 O\n0.542643 0.409819 0.769661 O\n0.234070 0.115459 0.772788 O\n0.736554 0.123067 0.834082 O\n0.419819 0.170833 0.010939 Pu\n0.591903 0.840587 0.014916 Pu\n0.927201 0.180292 0.066108 Pu\n0.072786 0.779370 0.915954 Pu\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Pu"
],
"chemical_system": "Li-O-Pu",
"density": 6.95313985280659,
"density_atomic": 0.07975627590839036,
"volume": 288.37856003229456,
"volume_molar": 7.550679481219948,
"formula_full": "Li8 Pu4 O11",
"formula_reduced": "Li8Pu4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.6470447158452,
"spacegroup": 1
},
{
"id": "oqmd-694488",
"created_at": "2022-09-04T15:18:01.101118Z",
"updated_at": "2022-09-04T15:18:01.101135Z",
"structure_string": "Fe4 O11\n1.0\n-4.870716 -8.611739 0.516849\n-2.396009 4.283234 0.255908\n2.112812 0.011276 -4.131791\nFe O\n4 11\ndirect\n0.079881 0.845343 0.006979 Fe\n0.595732 0.863218 0.976017 Fe\n0.402441 0.107445 0.987172 Fe\n0.919657 0.167992 0.989378 Fe\n0.816693 0.995788 0.245416 O\n0.988017 0.630665 0.248299 O\n0.132388 0.276095 0.250497 O\n0.623630 0.240084 0.259593 O\n0.316763 0.017821 0.278104 O\n0.680297 0.979074 0.700894 O\n0.869256 0.741233 0.735739 O\n0.365467 0.697663 0.745870 O\n0.011140 0.384850 0.750593 O\n0.190121 0.019073 0.756216 O\n0.513008 0.399143 0.811585 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.0906373131820875,
"density_atomic": 0.09252391511278864,
"volume": 162.1202473081114,
"volume_molar": 6.508739662236386,
"formula_full": "Fe4 O11",
"formula_reduced": "Fe4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.630774267221551,
"spacegroup": 1
},
{
"id": "oqmd-694123",
"created_at": "2022-09-04T15:18:00.009292Z",
"updated_at": "2022-09-04T15:18:00.009314Z",
"structure_string": "Li8 Ac4 O11\n1.0\n-5.753647 -12.383876 -0.534894\n-2.654313 6.085941 -0.316988\n1.379461 0.044659 -4.028273\nAc Li O\n4 8 11\ndirect\n0.601290 0.823097 0.155196 Ac\n0.433840 0.117245 0.173326 Ac\n0.930803 0.189273 0.922609 Ac\n0.115285 0.931852 0.987274 Ac\n0.736571 0.564454 0.055624 Li\n0.940242 0.862686 0.409520 Li\n0.187836 0.578716 0.502970 Li\n0.333128 0.450939 0.526550 Li\n0.716395 0.606142 0.562493 Li\n0.812992 0.405485 0.563137 Li\n0.596693 0.142912 0.724062 Li\n0.273008 0.520138 0.942201 Li\n0.195627 0.670134 0.066012 O\n0.353573 0.369246 0.117390 O\n0.945054 0.554428 0.284285 O\n0.651245 0.268347 0.288970 O\n0.808325 0.901699 0.323509 O\n0.134638 0.197798 0.528684 O\n0.027859 0.543871 0.534010 O\n0.414207 0.810214 0.723249 O\n0.717853 0.071221 0.748407 O\n0.565261 0.426846 0.768833 O\n0.887062 0.750833 0.833774 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ac",
"Li",
"O"
],
"chemical_system": "Ac-Li-O",
"density": 6.677907051083418,
"density_atomic": 0.08117020127287852,
"volume": 283.3552170540818,
"volume_molar": 7.419152183391448,
"formula_full": "Li8 Ac4 O11",
"formula_reduced": "Li8Ac4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.5088493423768,
"spacegroup": 1
},
{
"id": "oqmd-694193",
"created_at": "2022-09-04T15:18:00.216642Z",
"updated_at": "2022-09-04T15:18:00.216667Z",
"structure_string": "Li8 Nb4 O11\n1.0\n-5.261518 -8.884376 -0.097180\n-2.549059 4.394038 -0.048067\n1.668151 0.015283 -4.952193\nLi Nb O\n8 4 11\ndirect\n0.680716 0.661088 0.498115 Li\n0.997940 0.997658 0.499278 Li\n0.830343 0.332006 0.499809 Li\n0.171843 0.660165 0.502345 Li\n0.314860 0.319702 0.517887 Li\n0.504001 0.040877 0.518357 Li\n0.237251 0.490572 0.977243 Li\n0.749934 0.497343 0.998063 Li\n0.921406 0.141021 0.001244 Nb\n0.075472 0.849223 0.001383 Nb\n0.427679 0.172588 0.008807 Nb\n0.570146 0.846045 0.986607 Nb\n0.966812 0.585850 0.232613 O\n0.794599 0.926391 0.235615 O\n0.299203 0.954282 0.240914 O\n0.130585 0.262658 0.260675 O\n0.626444 0.238318 0.267782 O\n0.374945 0.744651 0.728554 O\n0.873427 0.736794 0.735774 O\n0.536154 0.414527 0.758337 O\n0.708882 0.058869 0.762032 O\n0.034322 0.409696 0.768460 O\n0.205952 0.070128 0.768469 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Nb",
"O"
],
"chemical_system": "Li-Nb-O",
"density": 4.391464142936748,
"density_atomic": 0.10084746019578975,
"volume": 228.0672210816889,
"volume_molar": 5.971534383025957,
"formula_full": "Li8 Nb4 O11",
"formula_reduced": "Li8Nb4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.34818674889854,
"spacegroup": 1
},
{
"id": "oqmd-694139",
"created_at": "2022-09-04T15:18:00.112884Z",
"updated_at": "2022-09-04T15:18:00.112900Z",
"structure_string": "Li8 Bi4 O11\n1.0\n-5.489916 -9.815951 -0.154028\n-2.807386 4.942910 -0.012144\n1.803450 -0.045453 -4.967926\nBi Li O\n4 8 11\ndirect\n0.572055 0.817668 0.004537 Bi\n0.915192 0.168950 0.011979 Bi\n0.426143 0.193120 0.033436 Bi\n0.079777 0.831442 0.980208 Bi\n0.764071 0.531607 0.063756 Li\n0.195352 0.619596 0.477879 Li\n0.001523 0.974694 0.486878 Li\n0.831614 0.351604 0.500989 Li\n0.300322 0.215643 0.504203 Li\n0.696361 0.659736 0.523444 Li\n0.544440 0.102698 0.563232 Li\n0.223226 0.500437 0.931261 Li\n0.261010 0.859405 0.220090 O\n0.953339 0.608491 0.225001 O\n0.785126 0.905379 0.253400 O\n0.636664 0.265540 0.262444 O\n0.134320 0.217054 0.264349 O\n0.518930 0.407776 0.701353 O\n0.043652 0.461749 0.713591 O\n0.883648 0.746463 0.740176 O\n0.690945 0.038630 0.751021 O\n0.381280 0.817102 0.758121 O\n0.203783 0.121678 0.777587 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Bi",
"Li",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 6.486044352323597,
"density_atomic": 0.08416159530881384,
"volume": 273.2837931078443,
"volume_molar": 7.155449867487636,
"formula_full": "Li8 Bi4 O11",
"formula_reduced": "Li8Bi4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.69660296802897,
"spacegroup": 1
},
{
"id": "oqmd-694184",
"created_at": "2022-09-04T15:18:00.190856Z",
"updated_at": "2022-09-04T15:18:00.190884Z",
"structure_string": "Li8 Lu4 O11\n1.0\n-5.495663 -9.659512 -0.044316\n-2.706188 4.806159 -0.041228\n1.793631 0.017278 -4.768653\nLi Lu O\n8 4 11\ndirect\n0.754677 0.504145 0.011613 Li\n0.177499 0.633754 0.486979 Li\n0.702645 0.646422 0.496488 Li\n0.994779 0.989320 0.498273 Li\n0.823404 0.345437 0.505834 Li\n0.518232 0.082178 0.512775 Li\n0.300721 0.324449 0.532317 Li\n0.225782 0.481596 0.963518 Li\n0.918228 0.167599 0.003124 Lu\n0.086341 0.840844 0.007383 Lu\n0.591177 0.844750 0.968189 Lu\n0.412488 0.129009 0.977090 Lu\n0.781050 0.896237 0.237515 O\n0.617495 0.235592 0.237892 O\n0.121389 0.244687 0.254183 O\n0.959728 0.580040 0.257187 O\n0.295471 0.926002 0.260342 O\n0.709907 0.082656 0.737198 O\n0.532618 0.418709 0.742986 O\n0.041783 0.425743 0.751868 O\n0.375501 0.740368 0.752859 O\n0.882076 0.758644 0.759882 O\n0.221547 0.123807 0.794146 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"Lu",
"O"
],
"chemical_system": "Li-Lu-O",
"density": 6.144557082656654,
"density_atomic": 0.09137723882891739,
"volume": 251.70381918698754,
"volume_molar": 6.590416647711424,
"formula_full": "Li8 Lu4 O11",
"formula_reduced": "Li8Lu4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.62640971455071,
"spacegroup": 1
},
{
"id": "oqmd-694242",
"created_at": "2022-09-04T15:18:00.428874Z",
"updated_at": "2022-09-04T15:18:00.428900Z",
"structure_string": "Li8 Tb4 O11\n1.0\n-5.991223 -9.785430 -0.009858\n-2.821253 4.791097 0.085016\n2.033529 -0.011381 -4.796290\nLi O Tb\n8 11 4\ndirect\n0.758695 0.487221 0.010655 Li\n0.245852 0.518802 0.112531 Li\n0.731941 0.734399 0.451589 Li\n0.560108 0.062490 0.457375 Li\n0.807131 0.349678 0.473733 Li\n0.144683 0.626189 0.530652 Li\n0.279582 0.220176 0.554464 Li\n0.036113 0.029109 0.554537 Li\n0.758721 0.860459 0.154487 O\n0.448199 0.661920 0.178545 O\n0.621975 0.254773 0.186621 O\n0.956599 0.580949 0.274416 O\n0.281768 0.909984 0.299412 O\n0.129777 0.246820 0.306327 O\n0.481155 0.355978 0.617955 O\n0.721942 0.100325 0.713861 O\n0.886651 0.761437 0.718475 O\n0.215153 0.036138 0.794762 O\n0.064474 0.407692 0.794805 O\n0.077027 0.813592 0.007560 Tb\n0.916140 0.159759 0.010291 Tb\n0.422614 0.245768 0.132950 Tb\n0.577005 0.822950 0.906977 Tb\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Tb"
],
"chemical_system": "Li-O-Tb",
"density": 5.363632380285612,
"density_atomic": 0.08566571720359892,
"volume": 268.4854659575971,
"volume_molar": 7.029814208742775,
"formula_full": "Li8 Tb4 O11",
"formula_reduced": "Li8Tb4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.41344755623187,
"spacegroup": 1
},
{
"id": "oqmd-694309",
"created_at": "2022-09-04T15:18:00.135941Z",
"updated_at": "2022-09-04T15:18:00.135969Z",
"structure_string": "Li8 Mn2 Rh2 O11\n1.0\n-5.015468 -8.613999 0.017377\n-2.539967 4.325634 -0.019713\n1.702773 0.009025 -4.732961\nLi Mn O Rh\n8 2 11 2\ndirect\n0.749716 0.495835 0.001640 Li\n0.831631 0.332519 0.493711 Li\n0.494574 0.995611 0.493915 Li\n0.667730 0.654342 0.500956 Li\n0.980407 0.971309 0.502811 Li\n0.352290 0.356499 0.510840 Li\n0.173277 0.709141 0.515701 Li\n0.257670 0.520517 0.969762 Li\n0.584496 0.831769 0.005048 Mn\n0.076280 0.815512 0.988088 Mn\n0.461330 0.591702 0.233841 O\n0.786123 0.920966 0.236244 O\n0.617026 0.220355 0.236285 O\n0.968236 0.590783 0.237794 O\n0.278024 0.930593 0.240933 O\n0.042751 0.412995 0.751769 O\n0.389252 0.764077 0.756343 O\n0.881569 0.750024 0.763922 O\n0.542892 0.432892 0.773256 O\n0.707173 0.059326 0.773579 O\n0.201018 0.081798 0.779056 O\n0.415942 0.169884 0.002127 Rh\n0.921888 0.166625 0.997360 Rh\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Rh"
],
"chemical_system": "Li-Mn-O-Rh",
"density": 4.402522161041529,
"density_atomic": 0.11143649977459127,
"volume": 206.39557098906877,
"volume_molar": 5.404100785811933,
"formula_full": "Li8 Mn2 Rh2 O11",
"formula_reduced": "Li8Mn2Rh2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.80868141561261,
"spacegroup": 1
},
{
"id": "oqmd-694310",
"created_at": "2022-09-04T15:18:00.147435Z",
"updated_at": "2022-09-04T15:18:00.147467Z",
"structure_string": "Li8 Mn2 Tc2 O11\n1.0\n-5.010834 -8.778764 -0.026823\n-2.564110 4.423372 0.014108\n1.720926 -0.026323 -4.751327\nLi Mn O Tc\n8 2 11 2\ndirect\n0.664632 0.658179 0.494691 Li\n0.997881 0.990181 0.496818 Li\n0.340204 0.377389 0.500157 Li\n0.825660 0.338349 0.502510 Li\n0.159843 0.626005 0.521786 Li\n0.517733 0.031818 0.524462 Li\n0.247975 0.466307 0.977420 Li\n0.746027 0.501160 0.996860 Li\n0.917183 0.167418 0.003645 Mn\n0.409438 0.161604 0.993332 Mn\n0.456282 0.572334 0.222897 O\n0.789373 0.932858 0.230693 O\n0.602145 0.226050 0.235273 O\n0.126356 0.228232 0.246310 O\n0.973645 0.586478 0.247937 O\n0.537204 0.429944 0.744503 O\n0.211163 0.061145 0.757508 O\n0.376884 0.766980 0.760954 O\n0.889113 0.775543 0.762564 O\n0.707701 0.082983 0.763971 O\n0.045080 0.425857 0.785199 O\n0.086233 0.833219 0.005976 Tc\n0.580613 0.830735 0.992471 Tc\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Tc"
],
"chemical_system": "Li-Mn-O-Tc",
"density": 4.20432177453407,
"density_atomic": 0.10836250897124915,
"volume": 212.25053035734328,
"volume_molar": 5.55740247911554,
"formula_full": "Li8 Mn2 Tc2 O11",
"formula_reduced": "Li8Mn2Tc2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.94479036430826,
"spacegroup": 1
},
{
"id": "oqmd-694438",
"created_at": "2022-09-04T15:18:00.242414Z",
"updated_at": "2022-09-04T15:18:00.242438Z",
"structure_string": "Mn2 O5\n1.0\n-2.564170 -4.367769 -0.063505\n-2.591840 4.396639 0.323432\n1.989057 -0.193522 -3.980875\nMn O\n2 5\ndirect\n0.800755 0.090891 0.946150 Mn\n0.191456 0.870001 0.959444 Mn\n0.640038 0.055862 0.249094 O\n0.194756 0.184285 0.251831 O\n0.777560 0.741507 0.678177 O\n0.381678 0.966867 0.686487 O\n0.071367 0.494268 0.984794 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 3.6034093811633863,
"density_atomic": 0.0800016840813971,
"volume": 87.49815807474631,
"volume_molar": 7.527517488097898,
"formula_full": "Mn2 O5",
"formula_reduced": "Mn2O5",
"formula_anonymous": "A2B5",
"formation_energy": -1.13241629483107,
"spacegroup": 1
},
{
"id": "oqmd-694355",
"created_at": "2022-09-04T15:18:00.103047Z",
"updated_at": "2022-09-04T15:18:00.103079Z",
"structure_string": "Li8 Mn2 Ir2 O11\n1.0\n-4.975930 -8.686286 0.004842\n-2.546061 4.376756 0.002758\n1.713370 -0.011601 -4.730794\nIr Li Mn O\n2 8 2 11\ndirect\n0.094412 0.837835 0.005707 Ir\n0.581665 0.830899 0.997791 Ir\n0.751341 0.502828 0.000491 Li\n0.663664 0.654779 0.493965 Li\n0.998713 0.993931 0.495832 Li\n0.329587 0.368087 0.501218 Li\n0.831734 0.341122 0.503995 Li\n0.155932 0.634075 0.516601 Li\n0.519371 0.016026 0.524893 Li\n0.243998 0.470840 0.978407 Li\n0.919991 0.168583 0.002583 Mn\n0.409122 0.166336 0.991534 Mn\n0.451803 0.566615 0.230452 O\n0.794727 0.932533 0.232916 O\n0.966217 0.572158 0.237057 O\n0.602125 0.224758 0.237314 O\n0.118558 0.245127 0.237966 O\n0.214231 0.075198 0.749691 O\n0.538579 0.423902 0.751159 O\n0.375032 0.771315 0.766756 O\n0.718790 0.083764 0.769078 O\n0.886349 0.778758 0.769995 O\n0.038863 0.408817 0.772256 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ir",
"Li",
"Mn",
"O"
],
"chemical_system": "Ir-Li-Mn-O",
"density": 5.806375633229136,
"density_atomic": 0.11080211768697809,
"volume": 207.57726007526526,
"volume_molar": 5.43504121194946,
"formula_full": "Li8 Mn2 Ir2 O11",
"formula_reduced": "Li8Mn2Ir2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.77807637865609,
"spacegroup": 1
},
{
"id": "oqmd-694480",
"created_at": "2022-09-04T15:18:00.115008Z",
"updated_at": "2022-09-04T15:18:00.115034Z",
"structure_string": "Mn4 O11\n1.0\n-4.990218 -8.550521 0.068498\n-2.488143 4.274304 0.172302\n1.877778 -0.065294 -4.090828\nMn O\n4 11\ndirect\n0.930347 0.185606 0.000371 Mn\n0.608560 0.889349 0.002181 Mn\n0.386756 0.066276 0.943748 Mn\n0.072542 0.826748 0.971209 Mn\n0.296969 0.972822 0.225287 O\n0.986283 0.623806 0.243323 O\n0.120211 0.243283 0.247048 O\n0.816587 0.001211 0.259159 O\n0.593043 0.171443 0.270398 O\n0.391165 0.747921 0.700905 O\n0.193430 0.010561 0.718177 O\n0.879963 0.762710 0.727946 O\n0.017555 0.390395 0.732749 O\n0.705864 0.042048 0.751631 O\n0.529533 0.469511 0.961847 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 3.8446310137607034,
"density_atomic": 0.08775679494561735,
"volume": 170.9269351654816,
"volume_molar": 6.862307088279493,
"formula_full": "Mn4 O11",
"formula_reduced": "Mn4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.963049648900918,
"spacegroup": 1
}
]
}