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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=45",
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"results": [
{
"id": "oqmd-694342",
"created_at": "2022-09-04T15:18:01.668260Z",
"updated_at": "2022-09-04T15:18:01.668289Z",
"structure_string": "Li8 Mn2 V2 O11\n1.0\n-5.019179 -8.689378 0.024302\n-2.510912 4.345515 -0.014998\n1.701498 0.014881 -4.709850\nLi Mn O V\n8 2 11 2\ndirect\n0.751326 0.502000 0.007845 Li\n0.830848 0.331371 0.494662 Li\n0.997609 0.004814 0.496337 Li\n0.170621 0.655155 0.499738 Li\n0.694962 0.670665 0.512125 Li\n0.502145 0.046230 0.518382 Li\n0.311461 0.309802 0.524512 Li\n0.231948 0.485574 0.971737 Li\n0.919135 0.174269 0.003801 Mn\n0.413496 0.148539 0.991860 Mn\n0.790425 0.932161 0.225206 O\n0.287087 0.934993 0.232628 O\n0.964063 0.575110 0.233210 O\n0.114340 0.234422 0.234503 O\n0.608958 0.230713 0.239131 O\n0.381130 0.741798 0.746002 O\n0.721014 0.079090 0.757611 O\n0.033630 0.422770 0.770306 O\n0.533209 0.416831 0.774317 O\n0.893954 0.783166 0.774687 O\n0.215579 0.081410 0.780706 O\n0.082375 0.831714 0.003142 V\n0.586016 0.835538 0.976728 V\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"V"
],
"chemical_system": "Li-Mn-O-V",
"density": 3.5814507341659247,
"density_atomic": 0.111907476558,
"volume": 205.52692909735515,
"volume_molar": 5.381356943455707,
"formula_full": "Li8 Mn2 V2 O11",
"formula_reduced": "Li8Mn2V2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.22050499868084,
"spacegroup": 1
},
{
"id": "oqmd-694328",
"created_at": "2022-09-04T15:18:01.572951Z",
"updated_at": "2022-09-04T15:18:01.572992Z",
"structure_string": "Li8 Mn2 Si2 O11\n1.0\n-4.954286 -8.488653 0.024008\n-2.456533 4.233169 0.039540\n1.724600 -0.010689 -4.677017\nLi Mn O Si\n8 2 11 2\ndirect\n0.752995 0.510679 0.005005 Li\n0.167854 0.652053 0.498098 Li\n0.828040 0.324461 0.501719 Li\n0.004416 0.003807 0.502749 Li\n0.695014 0.670505 0.508277 Li\n0.500835 0.041352 0.517896 Li\n0.308222 0.297292 0.532268 Li\n0.235475 0.497698 0.981108 Li\n0.924138 0.176240 0.002454 Mn\n0.413971 0.157123 0.005085 Mn\n0.975324 0.601528 0.213236 O\n0.605658 0.188247 0.221099 O\n0.747479 0.890378 0.221139 O\n0.283494 0.930931 0.231086 O\n0.118805 0.209528 0.231686 O\n0.701554 0.057572 0.758319 O\n0.045056 0.467068 0.762980 O\n0.399313 0.747331 0.771113 O\n0.899260 0.781939 0.776191 O\n0.533120 0.439537 0.784964 O\n0.209214 0.077258 0.799695 O\n0.594142 0.852097 0.958336 Si\n0.084610 0.833975 0.997534 Si\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Si"
],
"chemical_system": "Li-Mn-O-Si",
"density": 3.387950382716486,
"density_atomic": 0.11803310274722771,
"volume": 194.8605896538648,
"volume_molar": 5.102077823792058,
"formula_full": "Li8 Mn2 Si2 O11",
"formula_reduced": "Li8Mn2Si2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.35540235083,
"spacegroup": 1
},
{
"id": "oqmd-694363",
"created_at": "2022-09-04T15:18:01.538325Z",
"updated_at": "2022-09-04T15:18:01.538363Z",
"structure_string": "Li8 Mn2 As2 O11\n1.0\n-4.922113 -8.876296 -0.042241\n-2.485837 4.451903 -0.060310\n1.600903 0.016392 -4.712502\nAs Li Mn O\n2 8 2 11\ndirect\n0.083274 0.838618 0.003466 As\n0.564906 0.798203 0.983531 As\n0.749587 0.504870 0.010737 Li\n0.995988 0.985593 0.486972 Li\n0.828292 0.335562 0.492667 Li\n0.173232 0.657513 0.499066 Li\n0.691728 0.675196 0.511874 Li\n0.315831 0.307907 0.513580 Li\n0.508451 0.040768 0.516268 Li\n0.234591 0.491855 0.972999 Li\n0.916591 0.172272 0.010422 Mn\n0.417300 0.155366 0.993694 Mn\n0.280900 0.922194 0.222259 O\n0.128754 0.214360 0.227873 O\n0.974186 0.602659 0.235014 O\n0.609139 0.259936 0.240694 O\n0.802554 0.944835 0.246703 O\n0.380393 0.737702 0.735996 O\n0.532686 0.419587 0.753961 O\n0.690146 0.037953 0.772697 O\n0.900511 0.773516 0.775544 O\n0.036084 0.449826 0.780793 O\n0.211619 0.069010 0.782476 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"As",
"Li",
"Mn",
"O"
],
"chemical_system": "As-Li-Mn-O",
"density": 3.914217500360532,
"density_atomic": 0.11036448985794849,
"volume": 208.40036527694357,
"volume_molar": 5.456592757100742,
"formula_full": "Li8 Mn2 As2 O11",
"formula_reduced": "Li8Mn2As2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.99948072126478,
"spacegroup": 1
},
{
"id": "oqmd-694360",
"created_at": "2022-09-04T15:18:01.601970Z",
"updated_at": "2022-09-04T15:18:01.602006Z",
"structure_string": "Li8 Mn2 Al2 O11\n1.0\n-4.914780 -8.473347 -0.000618\n-2.491240 4.256140 -0.008104\n1.671503 -0.002270 -4.695040\nAl Li Mn O\n2 8 2 11\ndirect\n0.579268 0.831744 0.008954 Al\n0.082518 0.783975 0.969290 Al\n0.747527 0.503073 0.006083 Li\n0.826983 0.329689 0.491154 Li\n0.493736 0.006167 0.497432 Li\n0.661270 0.641648 0.500332 Li\n0.187430 0.723880 0.507584 Li\n0.355107 0.365496 0.510792 Li\n0.985918 0.977170 0.514695 Li\n0.258954 0.506935 0.965581 Li\n0.417677 0.175108 0.003474 Mn\n0.900897 0.156552 0.984278 Mn\n0.974729 0.573207 0.226516 O\n0.280489 0.940455 0.228668 O\n0.793647 0.938881 0.229480 O\n0.460585 0.577949 0.229700 O\n0.610309 0.220566 0.233232 O\n0.034848 0.396173 0.764417 O\n0.388539 0.782549 0.765522 O\n0.706793 0.060992 0.770800 O\n0.206042 0.071861 0.780402 O\n0.537060 0.431698 0.783586 O\n0.898837 0.784263 0.799618 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Al",
"Li",
"Mn",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.325147970410362,
"density_atomic": 0.11649207034243395,
"volume": 197.43833148806107,
"volume_molar": 5.169571407133235,
"formula_full": "Li8 Mn2 Al2 O11",
"formula_reduced": "Li8Mn2Al2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.31289027387348,
"spacegroup": 1
},
{
"id": "oqmd-694354",
"created_at": "2022-09-04T15:18:01.623508Z",
"updated_at": "2022-09-04T15:18:01.623529Z",
"structure_string": "Li8 Mn2 Ge2 O11\n1.0\n-5.149414 -8.751429 -0.117645\n-2.487563 4.325198 0.040158\n1.700077 -0.038124 -4.749771\nGe Li Mn O\n2 8 2 11\ndirect\n0.585973 0.846557 0.002505 Ge\n0.079640 0.784682 0.968102 Ge\n0.746669 0.494802 0.007958 Li\n0.661891 0.649927 0.492422 Li\n0.363171 0.381960 0.501629 Li\n0.187149 0.737215 0.502034 Li\n0.814877 0.304420 0.509833 Li\n0.980023 0.956416 0.513731 Li\n0.514728 0.017568 0.513743 Li\n0.258805 0.506680 0.956688 Li\n0.908280 0.154378 0.002572 Mn\n0.417771 0.178145 0.996624 Mn\n0.462690 0.586774 0.218889 O\n0.274313 0.945115 0.225569 O\n0.979074 0.587677 0.233750 O\n0.790320 0.928852 0.234991 O\n0.622405 0.222740 0.245526 O\n0.388133 0.781859 0.760785 O\n0.700051 0.057376 0.767634 O\n0.033992 0.392726 0.768875 O\n0.186261 0.059172 0.771000 O\n0.538510 0.440066 0.773509 O\n0.895164 0.766768 0.802544 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ge",
"Li",
"Mn",
"O"
],
"chemical_system": "Ge-Li-Mn-O",
"density": 3.8586491022596343,
"density_atomic": 0.10981780666321056,
"volume": 209.43780156287804,
"volume_molar": 5.4837561803330415,
"formula_full": "Li8 Mn2 Ge2 O11",
"formula_reduced": "Li8Mn2Ge2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.08427668561261,
"spacegroup": 1
},
{
"id": "oqmd-694325",
"created_at": "2022-09-04T15:18:01.537799Z",
"updated_at": "2022-09-04T15:18:01.537826Z",
"structure_string": "Li8 Mn2 Mo2 O11\n1.0\n-5.161821 -8.991123 0.017511\n-2.522653 4.461255 0.010711\n1.749576 0.010464 -4.796288\nLi Mn Mo O\n8 2 2 11\ndirect\n0.173665 0.656445 0.498968 Li\n0.834329 0.331028 0.499702 Li\n0.998445 0.001718 0.501073 Li\n0.689155 0.650286 0.511125 Li\n0.493456 0.033565 0.514869 Li\n0.315542 0.313692 0.528087 Li\n0.236509 0.499666 0.977631 Li\n0.753168 0.509305 0.996828 Li\n0.912230 0.161116 0.002646 Mn\n0.422313 0.184529 0.996619 Mn\n0.085222 0.837743 0.002088 Mo\n0.590774 0.847976 0.990544 Mo\n0.968786 0.607904 0.235356 O\n0.128555 0.234998 0.240592 O\n0.285018 0.927482 0.241932 O\n0.775846 0.900060 0.244624 O\n0.618962 0.205635 0.249531 O\n0.690885 0.032867 0.726401 O\n0.541397 0.433242 0.751440 O\n0.888888 0.748735 0.759407 O\n0.043948 0.446280 0.759823 O\n0.385021 0.753334 0.766180 O\n0.201081 0.077862 0.771295 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Mo",
"O"
],
"chemical_system": "Li-Mn-Mo-O",
"density": 4.0447678324162055,
"density_atomic": 0.10505557030828497,
"volume": 218.93175138173666,
"volume_molar": 5.732338363713663,
"formula_full": "Li8 Mn2 Mo2 O11",
"formula_reduced": "Li8Mn2Mo2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.10579851169957,
"spacegroup": 1
},
{
"id": "oqmd-694455",
"created_at": "2022-09-04T15:18:02.463066Z",
"updated_at": "2022-09-04T15:18:02.463093Z",
"structure_string": "Pt4 O11\n1.0\n-5.294086 -9.359032 0.048535\n-2.439047 4.559276 0.040353\n1.781034 0.034828 -4.288471\nO Pt\n11 4\ndirect\n0.974449 0.586220 0.237628 O\n0.787919 0.957188 0.243823 O\n0.591161 0.169106 0.260446 O\n0.296074 0.996677 0.264523 O\n0.101426 0.225234 0.266790 O\n0.702084 0.984731 0.715791 O\n0.902041 0.796637 0.737234 O\n0.393335 0.775307 0.737262 O\n0.520746 0.397002 0.749117 O\n0.026160 0.432534 0.761004 O\n0.221959 0.095866 0.786173 O\n0.417090 0.155515 0.002066 Pt\n0.086928 0.858978 0.009747 Pt\n0.581155 0.822696 0.988528 Pt\n0.914734 0.159665 0.994508 Pt\n",
"nsites": 15,
"nelements": 2,
"elements": [
"O",
"Pt"
],
"chemical_system": "O-Pt",
"density": 7.926569713330814,
"density_atomic": 0.07487208681568375,
"volume": 200.34168457099676,
"volume_molar": 8.043238830547086,
"formula_full": "Pt4 O11",
"formula_reduced": "Pt4O11",
"formula_anonymous": "A4B11",
"formation_energy": -0.276002898977754,
"spacegroup": 1
},
{
"id": "oqmd-694294",
"created_at": "2022-09-04T15:18:01.589194Z",
"updated_at": "2022-09-04T15:18:01.589213Z",
"structure_string": "Li8 Pa2 Mn2 O11\n1.0\n-5.402670 -9.438137 -0.079644\n-2.675624 4.704821 -0.067440\n1.721998 0.018724 -4.905855\nLi Mn O Pa\n8 2 11 2\ndirect\n0.826661 0.328145 0.496703 Li\n0.366815 0.358415 0.503650 Li\n0.490221 0.019186 0.504773 Li\n0.682766 0.620964 0.516753 Li\n0.968245 0.988146 0.522224 Li\n0.196071 0.724023 0.522283 Li\n0.252947 0.488965 0.921781 Li\n0.745720 0.494976 0.998982 Li\n0.901512 0.156494 0.985478 Mn\n0.418726 0.167307 0.999586 Mn\n0.427149 0.550976 0.217824 O\n0.623374 0.247521 0.252009 O\n0.799380 0.924667 0.252169 O\n0.289025 0.932655 0.255858 O\n0.967383 0.577537 0.257134 O\n0.196414 0.070649 0.736400 O\n0.377721 0.756432 0.739113 O\n0.544572 0.426538 0.753207 O\n0.709805 0.087454 0.755499 O\n0.880489 0.754813 0.768932 O\n0.050238 0.414685 0.775629 O\n0.084317 0.828917 0.004481 Pa\n0.581511 0.832388 0.011148 Pa\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Pa"
],
"chemical_system": "Li-Mn-O-Pa",
"density": 5.32982841454728,
"density_atomic": 0.0918803637915574,
"volume": 250.32552169883112,
"volume_molar": 6.554328380394763,
"formula_full": "Li8 Pa2 Mn2 O11",
"formula_reduced": "Li8Pa2Mn2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -2.35889053909087,
"spacegroup": 1
},
{
"id": "oqmd-694428",
"created_at": "2022-09-04T15:18:01.651047Z",
"updated_at": "2022-09-04T15:18:01.651075Z",
"structure_string": "Ge2 O5\n1.0\n-2.503797 -4.672868 0.378701\n-2.557901 4.696748 0.324354\n2.318803 0.012168 -3.906180\nGe O\n2 5\ndirect\n0.093777 0.785666 0.951602 Ge\n0.860688 0.179876 0.957265 Ge\n0.210309 0.216470 0.267150 O\n0.140072 0.675494 0.288795 O\n0.883195 0.316196 0.636073 O\n0.697516 0.717331 0.693944 O\n0.462421 0.055419 0.923448 O\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 4.4017716753608855,
"density_atomic": 0.08236820466401558,
"volume": 84.9842488197161,
"volume_molar": 7.311244411074204,
"formula_full": "Ge2 O5",
"formula_reduced": "Ge2O5",
"formula_anonymous": "A2B5",
"formation_energy": -1.20457959848482,
"spacegroup": 1
},
{
"id": "oqmd-694305",
"created_at": "2022-09-04T15:18:01.658850Z",
"updated_at": "2022-09-04T15:18:01.658880Z",
"structure_string": "Li8 Mn2 Te2 O11\n1.0\n-5.329886 -9.014021 0.034407\n-2.633155 4.488705 0.009319\n1.822446 0.010956 -4.836510\nLi Mn O Te\n8 2 11 2\ndirect\n0.840185 0.355629 0.488886 Li\n0.496210 0.981352 0.493564 Li\n0.973856 0.935461 0.495136 Li\n0.669310 0.649655 0.501067 Li\n0.166050 0.706955 0.517233 Li\n0.347313 0.328349 0.524391 Li\n0.254162 0.518875 0.959917 Li\n0.747555 0.491020 0.985694 Li\n0.412661 0.160637 0.000845 Mn\n0.912335 0.166107 0.979898 Mn\n0.472544 0.608377 0.228460 O\n0.966840 0.583749 0.237224 O\n0.623390 0.214288 0.238708 O\n0.781297 0.914663 0.240623 O\n0.282556 0.913864 0.251995 O\n0.878506 0.744088 0.751087 O\n0.392766 0.747516 0.755700 O\n0.195300 0.080308 0.760529 O\n0.547912 0.448304 0.767913 O\n0.692961 0.055007 0.770675 O\n0.051299 0.480865 0.782870 O\n0.586757 0.833182 0.003904 Te\n0.085022 0.864895 0.023880 Te\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"Te"
],
"chemical_system": "Li-Mn-O-Te",
"density": 4.3059441019497955,
"density_atomic": 0.09996908206882954,
"volume": 230.07113323461658,
"volume_molar": 6.024003257180761,
"formula_full": "Li8 Mn2 Te2 O11",
"formula_reduced": "Li8Mn2Te2O11",
"formula_anonymous": "A2B2C8D11",
"formation_energy": -1.93452681329377,
"spacegroup": 1
},
{
"id": "oqmd-694468",
"created_at": "2022-09-04T15:18:01.652390Z",
"updated_at": "2022-09-04T15:18:01.652413Z",
"structure_string": "Hf4 O11\n1.0\n-5.253297 -10.706331 0.508462\n-2.878669 5.513802 -0.622574\n1.675488 0.211657 -2.878897\nHf O\n4 11\ndirect\n0.942663 0.147903 0.025648 Hf\n0.455616 0.164128 0.201838 Hf\n0.554337 0.850864 0.814059 Hf\n0.064512 0.840242 0.986797 Hf\n0.886747 0.780144 0.024645 O\n0.430873 0.794265 0.152834 O\n0.763989 0.920395 0.309464 O\n0.957066 0.529715 0.352282 O\n0.266777 0.895333 0.454506 O\n0.489605 0.485597 0.540108 O\n0.740960 0.097113 0.560378 O\n0.048661 0.458609 0.658312 O\n0.239894 0.065546 0.703443 O\n0.581599 0.223660 0.869954 O\n0.118707 0.207085 0.980879 O\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Hf",
"O"
],
"chemical_system": "Hf-O",
"density": 8.321651989494057,
"density_atomic": 0.08446648945964863,
"volume": 177.58521865841018,
"volume_molar": 7.129621224375497,
"formula_full": "Hf4 O11",
"formula_reduced": "Hf4O11",
"formula_anonymous": "A4B11",
"formation_energy": -2.72068346897775,
"spacegroup": 1
},
{
"id": "oqmd-694232",
"created_at": "2022-09-04T15:18:01.665360Z",
"updated_at": "2022-09-04T15:18:01.665381Z",
"structure_string": "Li8 Sm4 O11\n1.0\n-5.251707 -10.757547 0.049938\n-2.596199 5.362750 -0.217764\n1.619993 0.116678 -4.758924\nLi O Sm\n8 11 4\ndirect\n0.272915 0.546068 0.222051 Li\n0.934078 0.870714 0.390396 Li\n0.800745 0.340066 0.439791 Li\n0.688295 0.586891 0.449694 Li\n0.107662 0.573210 0.462477 Li\n0.550673 0.074250 0.505732 Li\n0.222564 0.397178 0.672951 Li\n0.746808 0.455232 0.946628 Li\n0.601621 0.171962 0.177504 O\n0.762998 0.831183 0.181846 O\n0.952690 0.553791 0.246558 O\n0.091285 0.223687 0.301395 O\n0.305446 0.948212 0.384559 O\n0.393473 0.739028 0.603280 O\n0.564153 0.405664 0.698268 O\n0.717829 0.098977 0.704301 O\n0.898573 0.778061 0.729604 O\n0.143035 0.591832 0.846917 O\n0.322020 0.339238 0.971524 O\n0.101529 0.905732 0.040512 Sm\n0.392904 0.056552 0.904865 Sm\n0.564345 0.767379 0.929259 Sm\n0.919877 0.172090 0.933346 Sm\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Li",
"O",
"Sm"
],
"chemical_system": "Li-O-Sm",
"density": 5.119956303650676,
"density_atomic": 0.08513734775640809,
"volume": 270.15170904556214,
"volume_molar": 7.073441819247567,
"formula_full": "Li8 Sm4 O11",
"formula_reduced": "Li8Sm4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -2.50264162020288,
"spacegroup": 1
}
]
}