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{
"id": "oqmd-694164",
"created_at": "2022-09-04T15:18:00.265907Z",
"updated_at": "2022-09-04T15:18:00.265932Z",
"structure_string": "Li8 Ga4 O11\n1.0\n-5.066939 -8.728400 -0.043064\n-2.541218 4.368613 0.001968\n1.703972 -0.013999 -4.699149\nGa Li O\n4 8 11\ndirect\n0.416942 0.170203 0.002949 Ga\n0.580493 0.836156 0.003826 Ga\n0.081835 0.789944 0.974110 Ga\n0.896744 0.152091 0.976592 Ga\n0.749162 0.502762 0.001753 Li\n0.826301 0.331793 0.493115 Li\n0.663588 0.652759 0.493559 Li\n0.501191 0.000716 0.503946 Li\n0.182185 0.715942 0.510406 Li\n0.985475 0.970751 0.512114 Li\n0.353223 0.360413 0.515389 Li\n0.255968 0.505108 0.962894 Li\n0.457508 0.579915 0.234536 O\n0.283901 0.940715 0.239155 O\n0.614980 0.233290 0.239874 O\n0.796021 0.932770 0.240355 O\n0.974322 0.571358 0.241288 O\n0.380110 0.769813 0.754546 O\n0.702763 0.068310 0.756190 O\n0.037908 0.392570 0.762070 O\n0.539843 0.429839 0.772869 O\n0.207688 0.080283 0.773428 O\n0.895841 0.780491 0.796744 O\n",
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"elements": [
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"density": 4.064295112868707,
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"volume": 208.5383485398276,
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"formula_full": "Li8 Ga4 O11",
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{
"id": "oqmd-694159",
"created_at": "2022-09-04T15:18:00.739534Z",
"updated_at": "2022-09-04T15:18:00.739561Z",
"structure_string": "Li8 Eu4 O11\n1.0\n-5.741980 -9.861801 -0.135810\n-2.821146 4.901647 0.067885\n1.929912 -0.049813 -4.512910\nEu Li O\n4 8 11\ndirect\n0.105787 0.862057 0.004142 Eu\n0.896714 0.185487 0.012103 Eu\n0.433058 0.193928 0.034473 Eu\n0.581715 0.832926 0.067066 Eu\n0.199278 0.712264 0.498102 Li\n0.958226 0.930761 0.518972 Li\n0.826871 0.388167 0.520160 Li\n0.479378 0.965002 0.522031 Li\n0.696508 0.650827 0.545098 Li\n0.360224 0.382140 0.546530 Li\n0.234923 0.458904 0.878382 Li\n0.716538 0.444879 0.912575 Li\n0.295552 0.816628 0.204134 O\n0.377514 0.516630 0.225383 O\n0.663485 0.321028 0.226946 O\n0.005301 0.653900 0.360149 O\n0.809005 0.996751 0.392074 O\n0.211306 0.081934 0.658776 O\n0.679559 0.044976 0.695208 O\n0.537235 0.404393 0.696748 O\n0.365695 0.733673 0.730646 O\n0.043723 0.385693 0.730714 O\n0.878020 0.748276 0.830545 O\n",
"nsites": 23,
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"elements": [
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"chemical_system": "Eu-Li-O",
"density": 5.519483387288806,
"density_atomic": 0.091079344704908,
"volume": 252.52706938679364,
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"formula_full": "Li8 Eu4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694490",
"created_at": "2022-09-04T15:18:00.293622Z",
"updated_at": "2022-09-04T15:18:00.293638Z",
"structure_string": "Ni4 O11\n1.0\n-4.780154 -8.166664 0.097361\n-2.292980 4.026746 0.018006\n1.650308 0.035196 -4.033721\nNi O\n4 11\ndirect\n0.917682 0.178190 0.001303 Ni\n0.087748 0.854293 0.014184 Ni\n0.586689 0.823377 0.979083 Ni\n0.408765 0.132419 0.986901 Ni\n0.616325 0.222712 0.229165 O\n0.792872 0.923814 0.231416 O\n0.959760 0.597965 0.241308 O\n0.126267 0.270354 0.245702 O\n0.294298 0.934967 0.252751 O\n0.715716 0.089171 0.733761 O\n0.523654 0.392171 0.750306 O\n0.374237 0.710295 0.769162 O\n0.878216 0.758198 0.771808 O\n0.211924 0.095022 0.777402 O\n0.045170 0.432731 0.778147 O\n",
"nsites": 15,
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"elements": [
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"chemical_system": "Ni-O",
"density": 4.479099332992185,
"density_atomic": 0.09850024467869596,
"volume": 152.28388567895874,
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"formula_full": "Ni4 O11",
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"formula_anonymous": "A4B11",
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"spacegroup": 1
},
{
"id": "oqmd-694321",
"created_at": "2022-09-04T15:18:00.418603Z",
"updated_at": "2022-09-04T15:18:00.418630Z",
"structure_string": "Li8 Mn2 Fe2 O11\n1.0\n-5.014820 -8.713996 -0.018948\n-2.481990 4.342280 0.012498\n1.696704 -0.006911 -4.708150\nFe Li Mn O\n2 8 2 11\ndirect\n0.923295 0.174966 0.004639 Fe\n0.408951 0.123566 0.981680 Fe\n0.754662 0.511763 0.004918 Li\n0.837558 0.347418 0.493744 Li\n0.163034 0.653867 0.494222 Li\n0.004865 0.997681 0.502789 Li\n0.696698 0.670410 0.507105 Li\n0.503305 0.048392 0.516869 Li\n0.309454 0.303734 0.524128 Li\n0.229765 0.485467 0.981267 Li\n0.083285 0.835938 0.003989 Mn\n0.593848 0.851111 0.977003 Mn\n0.774502 0.918500 0.228176 O\n0.965681 0.589269 0.229850 O\n0.610604 0.212333 0.232704 O\n0.289132 0.933351 0.239053 O\n0.120543 0.230525 0.240856 O\n0.700152 0.054512 0.743531 O\n0.388101 0.749981 0.754959 O\n0.037882 0.437130 0.765098 O\n0.891498 0.770455 0.768658 O\n0.532759 0.431722 0.783106 O\n0.211991 0.081297 0.786341 O\n",
"nsites": 23,
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"elements": [
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"chemical_system": "Fe-Li-Mn-O",
"density": 3.6825676695912684,
"density_atomic": 0.1125764121317621,
"volume": 204.30567615781052,
"volume_molar": 5.349380608214395,
"formula_full": "Li8 Mn2 Fe2 O11",
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"formula_anonymous": "A2B2C8D11",
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{
"id": "oqmd-694188",
"created_at": "2022-09-04T15:18:00.479231Z",
"updated_at": "2022-09-04T15:18:00.479263Z",
"structure_string": "Li8 Mn4 O11\n1.0\n-4.982375 -8.598973 -0.061923\n-2.486434 4.296630 -0.006812\n1.653474 -0.012236 -4.696931\nLi Mn O\n8 4 11\ndirect\n0.667652 0.663833 0.497922 Li\n0.501181 0.999795 0.500573 Li\n0.830333 0.331961 0.501066 Li\n0.983439 0.967527 0.509193 Li\n0.352114 0.352623 0.515606 Li\n0.172965 0.698833 0.517631 Li\n0.255782 0.511589 0.969226 Li\n0.748628 0.497634 0.997380 Li\n0.417793 0.173770 0.003791 Mn\n0.910449 0.161656 0.987848 Mn\n0.085021 0.817969 0.993294 Mn\n0.583108 0.838834 0.998473 Mn\n0.786164 0.931220 0.226609 O\n0.459424 0.572933 0.227819 O\n0.609456 0.224829 0.229377 O\n0.289260 0.937437 0.235358 O\n0.973250 0.581321 0.237496 O\n0.038220 0.387058 0.754111 O\n0.694517 0.059359 0.756841 O\n0.386562 0.780552 0.767528 O\n0.215660 0.085686 0.779107 O\n0.537107 0.430329 0.779415 O\n0.890388 0.770199 0.783718 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Li-Mn-O",
"density": 3.7187378035409555,
"density_atomic": 0.11413908559293637,
"volume": 201.50853566522161,
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"formula_full": "Li8 Mn4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694190",
"created_at": "2022-09-04T15:18:00.496906Z",
"updated_at": "2022-09-04T15:18:00.496937Z",
"structure_string": "Li8 Mo4 O11\n1.0\n-5.155680 -8.460329 -0.055336\n-2.574734 4.228291 -0.033961\n1.684252 0.004282 -4.907737\nLi Mo O\n8 4 11\ndirect\n0.496780 0.995222 0.493729 Li\n0.987647 0.972756 0.494003 Li\n0.339148 0.345876 0.499323 Li\n0.670116 0.667946 0.503854 Li\n0.829444 0.325758 0.509616 Li\n0.166096 0.672875 0.514756 Li\n0.246541 0.493407 0.970107 Li\n0.751456 0.500208 0.999772 Li\n0.939589 0.152529 0.014670 Mo\n0.078074 0.869764 0.014993 Mo\n0.571130 0.861287 0.995005 Mo\n0.429922 0.152867 0.996719 Mo\n0.460081 0.583473 0.226105 O\n0.790113 0.928163 0.227218 O\n0.289487 0.939941 0.232572 O\n0.972938 0.576896 0.239414 O\n0.632155 0.268855 0.266540 O\n0.365595 0.737204 0.724051 O\n0.875114 0.740836 0.745758 O\n0.031808 0.392669 0.762546 O\n0.698953 0.065863 0.763235 O\n0.537372 0.419313 0.765682 O\n0.209205 0.073824 0.769680 O\n",
"nsites": 23,
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"elements": [
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],
"chemical_system": "Li-Mo-O",
"density": 4.757157986923148,
"density_atomic": 0.10709088972433138,
"volume": 214.77083680232352,
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"formula_full": "Li8 Mo4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694214",
"created_at": "2022-09-04T15:18:00.365230Z",
"updated_at": "2022-09-04T15:18:00.365259Z",
"structure_string": "Li8 Pt4 O11\n1.0\n-5.192043 -8.912415 -0.019243\n-2.596366 4.456405 -0.004074\n1.749513 -0.003010 -4.726345\nLi O Pt\n8 11 4\ndirect\n0.987847 0.974948 0.493478 Li\n0.668995 0.667328 0.500904 Li\n0.501342 0.002530 0.501310 Li\n0.835704 0.329765 0.505548 Li\n0.342184 0.338166 0.506351 Li\n0.164345 0.686483 0.511482 Li\n0.252095 0.510067 0.977391 Li\n0.749282 0.490804 0.999571 Li\n0.791733 0.919895 0.236279 O\n0.458670 0.580070 0.236362 O\n0.615170 0.234881 0.238778 O\n0.965630 0.572631 0.240297 O\n0.285077 0.933436 0.241919 O\n0.874994 0.748372 0.752229 O\n0.381147 0.763682 0.753797 O\n0.047130 0.410111 0.763167 O\n0.539357 0.419689 0.763772 O\n0.709333 0.082422 0.763779 O\n0.206735 0.088753 0.764244 O\n0.927798 0.157219 0.003763 Pt\n0.076797 0.846076 0.003877 Pt\n0.413212 0.166355 0.998477 Pt\n0.585225 0.835919 0.999567 Pt\n",
"nsites": 23,
"nelements": 3,
"elements": [
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"O",
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],
"chemical_system": "Li-O-Pt",
"density": 7.674449355023413,
"density_atomic": 0.10505256260521638,
"volume": 218.93801949823103,
"volume_molar": 5.7325024831911815,
"formula_full": "Li8 Pt4 O11",
"formula_reduced": "Li8Pt4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.49267792368114,
"spacegroup": 1
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{
"id": "oqmd-694364",
"created_at": "2022-09-04T15:18:00.394732Z",
"updated_at": "2022-09-04T15:18:00.394769Z",
"structure_string": "Li8 Mn2 Ga2 O11\n1.0\n-4.985543 -8.695134 0.005245\n-2.505547 4.354858 0.012688\n1.711015 -0.008002 -4.706459\nGa Li Mn O\n2 8 2 11\ndirect\n0.586499 0.843953 0.004337 Ga\n0.062367 0.819491 0.983203 Ga\n0.753072 0.508176 0.003080 Li\n0.989590 0.991585 0.491047 Li\n0.674427 0.669685 0.491387 Li\n0.333071 0.389828 0.499074 Li\n0.832566 0.337687 0.500045 Li\n0.528517 0.020178 0.524275 Li\n0.153420 0.623425 0.529384 Li\n0.243974 0.456329 0.980021 Li\n0.917765 0.170534 0.005301 Mn\n0.425832 0.183036 0.974513 Mn\n0.458919 0.560227 0.223500 O\n0.792028 0.934825 0.229335 O\n0.602319 0.227394 0.232847 O\n0.115414 0.226071 0.240016 O\n0.972878 0.578204 0.242426 O\n0.524505 0.405206 0.744414 O\n0.877351 0.775374 0.758630 O\n0.384176 0.781912 0.764565 O\n0.719189 0.084739 0.773981 O\n0.215744 0.054415 0.783658 O\n0.042601 0.423917 0.790865 O\n",
"nsites": 23,
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"elements": [
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"O"
],
"chemical_system": "Ga-Li-Mn-O",
"density": 3.904628805764827,
"density_atomic": 0.11247467626437607,
"volume": 204.49047522428614,
"volume_molar": 5.354219242956277,
"formula_full": "Li8 Mn2 Ga2 O11",
"formula_reduced": "Li8Mn2Ga2O11",
"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
},
{
"id": "oqmd-694129",
"created_at": "2022-09-04T15:18:00.418319Z",
"updated_at": "2022-09-04T15:18:00.418348Z",
"structure_string": "Li8 As4 O11\n1.0\n-5.200625 -9.150204 -0.212885\n-2.631948 4.593579 -0.000693\n1.677319 -0.064951 -4.774905\nAs Li O\n4 8 11\ndirect\n0.082219 0.797122 0.006250 As\n0.573445 0.888734 0.006925 As\n0.917376 0.114905 0.032913 As\n0.412394 0.219096 0.957126 As\n0.772772 0.506316 0.042379 Li\n0.303784 0.263425 0.466517 Li\n0.167826 0.683337 0.498975 Li\n0.670537 0.654248 0.502693 Li\n0.000582 0.969429 0.509362 Li\n0.518846 0.064067 0.514622 Li\n0.840128 0.325921 0.516336 Li\n0.229225 0.502631 0.964041 Li\n0.114787 0.187097 0.218734 O\n0.259160 0.885729 0.218941 O\n0.976850 0.606157 0.240219 O\n0.643978 0.254772 0.254034 O\n0.815697 0.928714 0.271523 O\n0.500146 0.385307 0.693821 O\n0.055851 0.484303 0.749750 O\n0.672740 0.026006 0.751928 O\n0.211573 0.089111 0.776591 O\n0.389699 0.843984 0.790184 O\n0.905305 0.749197 0.791518 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"As",
"Li",
"O"
],
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"density": 3.82390546417869,
"density_atomic": 0.0997060341022911,
"volume": 230.6781149915529,
"volume_molar": 6.03989599448086,
"formula_full": "Li8 As4 O11",
"formula_reduced": "Li8As4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.81873588107245,
"spacegroup": 1
},
{
"id": "oqmd-694263",
"created_at": "2022-09-04T15:18:00.424835Z",
"updated_at": "2022-09-04T15:18:00.424861Z",
"structure_string": "Li8 Yb4 O11\n1.0\n-5.859328 -10.754611 -0.278885\n-2.972457 5.403484 -0.152287\n1.705902 -0.003643 -3.624390\nLi O Yb\n8 11 4\ndirect\n0.790677 0.492353 0.013082 Li\n0.396694 0.810618 0.388288 Li\n0.314881 0.290189 0.449420 Li\n0.811423 0.409616 0.497832 Li\n0.701884 0.633017 0.522448 Li\n0.996212 0.952499 0.525272 Li\n0.196383 0.694254 0.562905 Li\n0.226668 0.425755 0.863022 Li\n0.645434 0.313007 0.161263 O\n0.294755 0.946988 0.316951 O\n0.963316 0.575999 0.333258 O\n0.463949 0.589524 0.348236 O\n0.770952 0.970176 0.420098 O\n0.524512 0.501009 0.602119 O\n0.733180 0.105521 0.676767 O\n0.058989 0.360732 0.709665 O\n0.204023 0.099598 0.720130 O\n0.366942 0.757080 0.851051 O\n0.890999 0.782717 0.869033 O\n0.585365 0.888671 0.017914 Yb\n0.923469 0.180061 0.068146 Yb\n0.075198 0.758921 0.960414 Yb\n0.433675 0.200854 0.987650 Yb\n",
"nsites": 23,
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"elements": [
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"Yb"
],
"chemical_system": "Li-O-Yb",
"density": 6.4997693601630075,
"density_atomic": 0.09746630149564153,
"volume": 235.9789962998494,
"volume_molar": 6.178690139657444,
"formula_full": "Li8 Yb4 O11",
"formula_reduced": "Li8Yb4O11",
"formula_anonymous": "A4B8C11",
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"spacegroup": 1
},
{
"id": "oqmd-694145",
"created_at": "2022-09-04T15:18:00.469694Z",
"updated_at": "2022-09-04T15:18:00.469720Z",
"structure_string": "Li8 Ce4 O11\n1.0\n-5.433964 -11.192190 -0.798170\n-2.616790 5.521224 0.042924\n1.524899 -0.177573 -4.682819\nCe Li O\n4 8 11\ndirect\n0.424165 0.162569 0.087320 Ce\n0.951673 0.220001 0.105963 Ce\n0.049966 0.725868 0.804378 Ce\n0.597676 0.850955 0.994034 Ce\n0.789891 0.533135 0.073677 Li\n0.257827 0.626655 0.415384 Li\n0.937058 0.930713 0.494806 Li\n0.784182 0.373799 0.525644 Li\n0.697469 0.636476 0.542832 Li\n0.346304 0.390617 0.576056 Li\n0.533000 0.120608 0.588800 Li\n0.231728 0.521422 0.857817 Li\n0.216033 0.750067 0.135697 O\n0.342126 0.446793 0.182263 O\n0.757761 0.841787 0.254821 O\n0.621817 0.232647 0.286629 O\n0.958265 0.635120 0.326385 O\n0.071788 0.358646 0.573476 O\n0.498384 0.389616 0.659489 O\n0.406867 0.798609 0.730090 O\n0.874458 0.771995 0.798216 O\n0.781478 0.201912 0.822207 O\n0.247562 0.234940 0.905155 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Ce",
"Li",
"O"
],
"chemical_system": "Ce-Li-O",
"density": 4.64349495605537,
"density_atomic": 0.08120944474831485,
"volume": 283.2182890953366,
"volume_molar": 7.415566968428218,
"formula_full": "Li8 Ce4 O11",
"formula_reduced": "Li8Ce4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.42152445063767,
"spacegroup": 1
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{
"id": "oqmd-694152",
"created_at": "2022-09-04T15:18:00.373803Z",
"updated_at": "2022-09-04T15:18:00.373829Z",
"structure_string": "Cs4 Li8 O11\n1.0\n-5.545584 -10.732793 0.530464\n-2.784929 5.387854 0.456285\n2.407446 -0.105053 -5.809520\nCs Li O\n4 8 11\ndirect\n0.064859 0.806995 0.001461 Cs\n0.554161 0.825584 0.004584 Cs\n0.410799 0.155213 0.012480 Cs\n0.911175 0.136183 0.058613 Cs\n0.058305 0.102593 0.503520 Li\n0.616581 0.718274 0.540716 Li\n0.103480 0.725098 0.543107 Li\n0.365886 0.258965 0.548259 Li\n0.843096 0.167101 0.548807 Li\n0.602608 0.193542 0.569078 Li\n0.206469 0.439093 0.877530 Li\n0.714339 0.496044 0.991617 Li\n0.263424 0.690614 0.220220 O\n0.710560 0.743793 0.294602 O\n0.915144 0.654424 0.294927 O\n0.383248 0.512722 0.345532 O\n0.378456 0.749252 0.417614 O\n0.846786 0.657584 0.462123 O\n0.772141 0.394260 0.477870 O\n0.061665 0.421188 0.645772 O\n0.221922 0.154860 0.683052 O\n0.576107 0.455821 0.705743 O\n0.727751 0.158715 0.760024 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cs",
"Li",
"O"
],
"chemical_system": "Cs-Li-O",
"density": 3.858240952180103,
"density_atomic": 0.07002643896496014,
"volume": 328.4473741626181,
"volume_molar": 8.599810084607276,
"formula_full": "Cs4 Li8 O11",
"formula_reduced": "Cs4Li8O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.28519535194201,
"spacegroup": 1
}
]
}