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{
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"next": "https://simmate.org/third-parties/OqmdStructure/?format=api&ordering=spacegroup&page=5",
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"results": [
{
"id": "oqmd-16359",
"created_at": "2022-09-04T14:49:10.930767Z",
"updated_at": "2022-09-04T14:49:10.930799Z",
"structure_string": "Cs4 U3 Mo3 O20\n1.0\n7.104745 -0.012382 0.186786\n0.344961 7.715524 -0.018724\n1.641771 1.674205 9.280530\nCs Mo O U\n4 3 20 3\ndirect\n0.492605 0.786761 0.032074 Cs\n0.451868 0.237506 0.287050 Cs\n0.677922 0.729010 0.532045 Cs\n0.349641 0.311426 0.754287 Cs\n0.216100 0.700865 0.436184 Mo\n0.915518 0.215832 0.512822 Mo\n0.823504 0.344177 0.890662 Mo\n0.014420 0.800906 0.020915 O\n0.230889 0.090264 0.078302 O\n0.223950 0.476638 0.099942 O\n0.862465 0.292070 0.115127 O\n0.735112 0.951903 0.218719 O\n0.726362 0.587025 0.222701 O\n0.100231 0.750396 0.276437 O\n0.994591 0.082212 0.374807 O\n0.985897 0.431887 0.408469 O\n0.352158 0.885083 0.428394 O\n0.379019 0.523945 0.446331 O\n0.668764 0.170433 0.552603 O\n0.053273 0.680435 0.608444 O\n0.081764 0.115138 0.628137 O\n0.827151 0.369230 0.700189 O\n0.295751 0.832925 0.774601 O\n0.783294 0.869147 0.780122 O\n0.957414 0.542773 0.897086 O\n0.936562 0.120261 0.905028 O\n0.577541 0.360363 0.958822 O\n0.982162 0.021830 0.147780 U\n0.975162 0.533425 0.159176 U\n0.037384 0.851079 0.784646 U\n",
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"formula_full": "Cs4 U3 Mo3 O20",
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{
"id": "oqmd-21959",
"created_at": "2022-09-04T14:49:11.520371Z",
"updated_at": "2022-09-04T14:49:11.520385Z",
"structure_string": "Al4 O6\n1.0\n4.705144 0.053050 -0.176986\n0.022796 2.864056 0.244565\n-0.269189 0.632706 6.667527\nAl O\n4 6\ndirect\n0.441973 0.720862 0.288562 Al\n0.970503 0.137725 0.531356 Al\n0.431890 0.984770 0.872524 Al\n0.945367 0.456659 0.946287 Al\n0.603126 0.425803 0.063647 O\n0.151563 0.897950 0.065292 O\n0.298277 0.181245 0.405910 O\n0.796580 0.689129 0.419417 O\n0.226060 0.537279 0.744723 O\n0.777963 0.037174 0.773979 O\n",
"nsites": 10,
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"elements": [
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"O"
],
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"density": 3.8059485313439474,
"density_atomic": 0.11239540352182432,
"volume": 88.97160992938875,
"volume_molar": 5.357995586385926,
"formula_full": "Al4 O6",
"formula_reduced": "Al2O3",
"formula_anonymous": "A2B3",
"formation_energy": -3.17539857752725,
"spacegroup": 1
},
{
"id": "oqmd-21377",
"created_at": "2022-09-04T14:49:15.793316Z",
"updated_at": "2022-09-04T14:49:15.793348Z",
"structure_string": "Fe3 Co1 Bi4 O12\n1.0\n11.112340 -0.046644 -0.037401\n2.808794 4.782115 -0.023514\n2.842321 1.589200 4.502240\nBi Co Fe O\n4 1 3 12\ndirect\n0.491532 0.997505 0.002903 Bi\n0.753488 0.490118 0.489431 Bi\n0.242855 0.500856 0.500231 Bi\n0.002293 0.992025 0.982549 Bi\n0.107545 0.217536 0.213713 Co\n0.611734 0.221701 0.221881 Fe\n0.863975 0.723711 0.715511 Fe\n0.359555 0.721964 0.727912 Fe\n0.954593 0.443766 0.026966 O\n0.443429 0.435891 0.044230 O\n0.773061 0.939160 0.381183 O\n0.260159 0.950358 0.398014 O\n0.017639 0.908838 0.434297 O\n0.518838 0.886321 0.442979 O\n0.975924 0.391410 0.525039 O\n0.467178 0.393661 0.539200 O\n0.719141 0.037780 0.886709 O\n0.221861 0.036693 0.903099 O\n0.699889 0.535350 0.933758 O\n0.193313 0.531357 0.950395 O\n",
"nsites": 20,
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"elements": [
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"Co",
"Fe",
"O"
],
"chemical_system": "Bi-Co-Fe-O",
"density": 8.657289177032112,
"density_atomic": 0.08312521913161403,
"volume": 240.60086949465423,
"volume_molar": 7.244661515375989,
"formula_full": "Fe3 Co1 Bi4 O12",
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"formula_anonymous": "AB3C4D12",
"formation_energy": -1.46836442238617,
"spacegroup": 1
},
{
"id": "oqmd-22024",
"created_at": "2022-09-04T14:49:16.885260Z",
"updated_at": "2022-09-04T14:49:16.885287Z",
"structure_string": "Sn14 Sb11 Pt8\n1.0\n9.501238 -0.025328 -0.017387\n-0.025601 9.542244 -0.020857\n-0.017451 -0.020807 9.471508\nPt Sb Sn\n8 11 14\ndirect\n0.746604 0.246237 0.245136 Pt\n0.747793 0.748862 0.245358 Pt\n0.244713 0.749834 0.249740 Pt\n0.247328 0.250008 0.251991 Pt\n0.744961 0.744465 0.745674 Pt\n0.243199 0.750673 0.745946 Pt\n0.251565 0.247186 0.747736 Pt\n0.744533 0.244211 0.755611 Pt\n0.647059 0.995987 0.152430 Sb\n0.496938 0.347488 0.161405 Sb\n0.995107 0.154558 0.344102 Sb\n0.155302 0.500335 0.345369 Sb\n0.346783 0.840797 0.498111 Sb\n0.345058 0.152980 0.499888 Sb\n0.994463 0.845106 0.652643 Sb\n0.649507 0.993780 0.843078 Sb\n0.497578 0.345939 0.847549 Sb\n0.843083 0.650449 0.996576 Sb\n0.153799 0.653543 0.996729 Sb\n0.848376 0.339432 0.000000 Sn\n0.332890 0.999386 0.153105 Sn\n0.494571 0.654180 0.158128 Sn\n0.844807 0.497401 0.336800 Sn\n0.996004 0.848032 0.339935 Sn\n0.664674 0.864531 0.494737 Sn\n0.650703 0.171464 0.499930 Sn\n0.575604 0.560665 0.523371 Sn\n0.162794 0.496057 0.651388 Sn\n0.996391 0.153972 0.660274 Sn\n0.853657 0.489885 0.664204 Sn\n0.491967 0.655478 0.845009 Sn\n0.338172 0.998158 0.845577 Sn\n0.154613 0.338722 0.997764 Sn\n",
"nsites": 33,
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"elements": [
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"Sn"
],
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"density": 8.821826922568158,
"density_atomic": 0.03843003323369672,
"volume": 858.7033947986419,
"volume_molar": 15.670402165355371,
"formula_full": "Sn14 Sb11 Pt8",
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"formula_anonymous": "A8B11C14",
"formation_energy": -0.376184790330813,
"spacegroup": 1
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{
"id": "oqmd-22194",
"created_at": "2022-09-04T14:49:17.100487Z",
"updated_at": "2022-09-04T14:49:17.100521Z",
"structure_string": "Al8 Si38\n1.0\n10.407105 0.179484 -0.072616\n0.179932 10.259194 -0.214042\n-0.071660 -0.215719 10.492172\nAl Si\n8 38\ndirect\n0.252177 0.499316 0.002356 Al\n0.688585 0.000278 0.116832 Al\n0.008619 0.105629 0.313041 Al\n0.516629 0.183661 0.384911 Al\n0.995625 0.741819 0.497018 Al\n0.492968 0.004005 0.754910 Al\n0.617939 0.519547 0.815317 Al\n0.867064 0.707662 0.983223 Al\n0.889207 0.317791 0.006370 Si\n0.117270 0.305565 0.007487 Si\n0.746705 0.504199 0.018104 Si\n0.301021 0.984441 0.116767 Si\n0.179456 0.800364 0.171584 Si\n0.830349 0.188944 0.174315 Si\n0.187848 0.179754 0.179801 Si\n0.391340 0.482389 0.197721 Si\n0.804661 0.800608 0.200916 Si\n0.619433 0.490832 0.202662 Si\n0.490235 0.980962 0.247237 Si\n0.998564 0.864222 0.299119 Si\n0.310367 0.669724 0.312277 Si\n0.700421 0.312140 0.316474 Si\n0.318147 0.307920 0.317066 Si\n0.675330 0.676193 0.328814 Si\n0.485100 0.799692 0.379737 Si\n0.196204 0.603229 0.492484 Si\n0.201140 0.372824 0.503906 Si\n0.813587 0.380471 0.505041 Si\n0.800358 0.612352 0.506829 Si\n0.009379 0.252339 0.509922 Si\n0.483054 0.807644 0.605578 Si\n0.514309 0.198867 0.622635 Si\n0.310145 0.683420 0.674601 Si\n0.674969 0.700889 0.677821 Si\n0.692719 0.323268 0.682203 Si\n0.997827 0.898705 0.686074 Si\n0.322641 0.316390 0.692416 Si\n0.009125 0.128977 0.696541 Si\n0.807879 0.848309 0.795946 Si\n0.380399 0.512195 0.804834 Si\n0.175549 0.821190 0.808955 Si\n0.827209 0.201780 0.817346 Si\n0.192136 0.186027 0.822217 Si\n0.697717 0.033348 0.881171 Si\n0.301896 0.992909 0.891207 Si\n0.106694 0.697210 0.978215 Si\n",
"nsites": 46,
"nelements": 2,
"elements": [
"Al",
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],
"chemical_system": "Al-Si",
"density": 1.9034338452389934,
"density_atomic": 0.04109467721381328,
"volume": 1119.3663782943129,
"volume_molar": 14.654308461086437,
"formula_full": "Al8 Si38",
"formula_reduced": "Al4Si19",
"formula_anonymous": "A4B19",
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"spacegroup": 1
},
{
"id": "oqmd-3419",
"created_at": "2022-09-04T14:49:17.373208Z",
"updated_at": "2022-09-04T14:49:17.373236Z",
"structure_string": "Ba6 Sm2 Ir4 O18\n1.0\n5.854647 -0.028727 0.082095\n-2.955528 5.054113 0.001208\n0.228467 0.125108 14.907000\nBa Ir O Sm\n6 4 18 2\ndirect\n0.816293 0.368939 0.112946 Ba\n0.135053 0.041639 0.253547 Ba\n0.781735 0.370110 0.406692 Ba\n0.427683 0.690681 0.586097 Ba\n0.085100 0.019706 0.737667 Ba\n0.438576 0.699736 0.885742 Ba\n0.487658 0.694720 0.165360 Ir\n0.453395 0.708000 0.333394 Ir\n0.759933 0.358740 0.665566 Ir\n0.716724 0.359712 0.835377 Ir\n0.363504 0.847668 0.073539 O\n0.362230 0.367163 0.096993 O\n0.836861 0.856089 0.102776 O\n0.616430 0.021738 0.246025 O\n0.147240 0.543862 0.246518 O\n0.624484 0.539129 0.259467 O\n0.287751 0.868730 0.404761 O\n0.759631 0.874483 0.409535 O\n0.290550 0.403051 0.416127 O\n0.905482 0.648053 0.577191 O\n0.439486 0.185609 0.591708 O\n0.908695 0.183563 0.592320 O\n0.105624 0.550069 0.725643 O\n0.584236 0.518720 0.744686 O\n0.570157 0.046612 0.752297 O\n0.903140 0.190884 0.892484 O\n0.885643 0.666183 0.912014 O\n0.050488 0.329068 0.972623 O\n0.152754 0.016821 0.002169 Sm\n0.103252 0.030512 0.498737 Sm\n",
"nsites": 30,
"nelements": 4,
"elements": [
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"Ir",
"O",
"Sm"
],
"chemical_system": "Ba-Ir-O-Sm",
"density": 8.238508640456036,
"density_atomic": 0.06822722970430395,
"volume": 439.7071393638532,
"volume_molar": 8.826594288086868,
"formula_full": "Ba6 Sm2 Ir4 O18",
"formula_reduced": "Ba3SmIr2O9",
"formula_anonymous": "AB2C3D9",
"formation_energy": -2.16427164669392,
"spacegroup": 1
},
{
"id": "oqmd-22830",
"created_at": "2022-09-04T14:49:17.683273Z",
"updated_at": "2022-09-04T14:49:17.683295Z",
"structure_string": "Cu8 W4 O16\n1.0\n7.492298 0.227894 0.046020\n-2.467834 7.179462 -0.170547\n-0.381126 -0.944741 5.596671\nCu O W\n8 16 4\ndirect\n0.248805 0.503967 0.086092 Cu\n0.251294 0.997722 0.089968 Cu\n0.583141 0.982434 0.231144 Cu\n0.528106 0.457730 0.297659 Cu\n0.868383 0.297887 0.316306 Cu\n0.631329 0.698755 0.861276 Cu\n0.962491 0.539966 0.878580 Cu\n0.918142 0.017377 0.948954 Cu\n0.696407 0.148195 0.016000 O\n0.801850 0.847255 0.160043 O\n0.939601 0.549581 0.210920 O\n0.092718 0.220560 0.250009 O\n0.180318 0.910509 0.373400 O\n0.325990 0.607958 0.409374 O\n0.430952 0.268083 0.490582 O\n0.703423 0.656794 0.549499 O\n0.548531 0.977759 0.558682 O\n0.948829 0.016120 0.618642 O\n0.794021 0.337957 0.625771 O\n0.066289 0.726058 0.685904 O\n0.171249 0.386882 0.767347 O\n0.317576 0.083928 0.804180 O\n0.404977 0.773200 0.927928 O\n0.558529 0.445230 0.965851 O\n0.903800 0.753504 0.396547 W\n0.170851 0.189733 0.549885 W\n0.326382 0.804697 0.628257 W\n0.593917 0.241665 0.779301 W\n",
"nsites": 28,
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"elements": [
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],
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"density": 8.212520251099987,
"density_atomic": 0.09233698026108408,
"volume": 303.237120391306,
"volume_molar": 6.521916509476825,
"formula_full": "Cu8 W4 O16",
"formula_reduced": "Cu2WO4",
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"formation_energy": -1.58067584348415,
"spacegroup": 1
},
{
"id": "oqmd-23155",
"created_at": "2022-09-04T14:49:18.010066Z",
"updated_at": "2022-09-04T14:49:18.010093Z",
"structure_string": "Fe5 Te6 Cl2 O18\n1.0\n4.901072 0.050701 -0.017319\n0.028447 10.110739 0.196082\n-2.345500 -2.301798 8.528587\nCl Fe O Te\n2 5 18 6\ndirect\n0.250207 0.373872 0.448611 Cl\n0.762188 0.621295 0.547838 Cl\n0.525360 0.793447 0.088611 Fe\n0.699399 0.951718 0.413732 Fe\n0.292728 0.043720 0.584516 Fe\n0.475998 0.202574 0.912051 Fe\n0.005438 0.504208 0.997918 Fe\n0.745940 0.367465 0.054810 O\n0.203046 0.934627 0.056474 O\n0.410543 0.214098 0.120896 O\n0.892198 0.664200 0.155489 O\n0.318163 0.502601 0.181257 O\n0.793830 0.957910 0.221435 O\n0.455277 0.785519 0.298776 O\n0.362326 0.060303 0.383415 O\n0.065622 0.863841 0.477319 O\n0.931810 0.135523 0.528707 O\n0.635827 0.941832 0.621371 O\n0.543880 0.215097 0.711009 O\n0.207603 0.050570 0.787591 O\n0.685379 0.497798 0.817708 O\n0.114399 0.333490 0.847382 O\n0.590477 0.789031 0.867194 O\n0.245491 0.629273 0.931166 O\n0.782185 0.067113 0.942672 O\n0.066017 0.077891 0.193169 Te\n0.608659 0.383772 0.238810 Te\n0.176027 0.694099 0.354333 Te\n0.826579 0.304820 0.650033 Te\n0.398546 0.617984 0.754543 Te\n0.928863 0.920305 0.811159 Te\n",
"nsites": 31,
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"elements": [
"Cl",
"Fe",
"O",
"Te"
],
"chemical_system": "Cl-Fe-O-Te",
"density": 5.492457521592464,
"density_atomic": 0.073046389306659,
"volume": 424.3878485198994,
"volume_molar": 8.244268905227072,
"formula_full": "Fe5 Te6 Cl2 O18",
"formula_reduced": "Fe5Te6(ClO9)2",
"formula_anonymous": "A2B5C6D18",
"formation_energy": -1.43083599577829,
"spacegroup": 1
},
{
"id": "oqmd-5540",
"created_at": "2022-09-04T14:49:18.070692Z",
"updated_at": "2022-09-04T14:49:18.070718Z",
"structure_string": "Rb1 Be2 F5\n1.0\n-3.888373 -2.271208 0.070464\n-3.896564 2.223374 0.003982\n0.158647 0.051469 -5.732226\nBe F Rb\n2 5 1\ndirect\n0.649059 0.729290 0.412916 Be\n0.308895 0.394620 0.609023 Be\n0.684130 0.654079 0.158544 F\n0.328498 0.096293 0.450773 F\n0.969516 0.733962 0.530598 F\n0.611972 0.454825 0.552161 F\n0.322887 0.320858 0.861583 F\n0.998049 0.001071 0.011402 Rb\n",
"nsites": 8,
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"elements": [
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"F",
"Rb"
],
"chemical_system": "Be-F-Rb",
"density": 3.2877897820845354,
"density_atomic": 0.07980296611586918,
"volume": 100.24690045210193,
"volume_molar": 7.546261815953319,
"formula_full": "Rb1 Be2 F5",
"formula_reduced": "RbBe2F5",
"formula_anonymous": "AB2C5",
"formation_energy": -3.41796791070694,
"spacegroup": 1
},
{
"id": "oqmd-3732",
"created_at": "2022-09-04T14:49:18.125799Z",
"updated_at": "2022-09-04T14:49:18.125822Z",
"structure_string": "Na4 H4 C4 O12\n1.0\n2.889643 0.077670 2.589922\n-0.014551 12.896613 0.645520\n3.102958 0.277032 11.479132\nC H Na O\n4 4 4 12\ndirect\n0.824488 0.107721 0.121614 C\n0.758466 0.226739 0.553277 C\n0.898284 0.766015 0.624284 C\n0.676264 0.738847 0.998760 C\n0.307674 0.296491 0.158244 H\n0.391934 0.650529 0.307415 H\n0.843560 0.265613 0.716834 H\n0.962833 0.749002 0.776828 H\n0.169504 0.498478 0.246107 Na\n0.344271 0.905918 0.302969 Na\n0.325964 0.065700 0.745974 Na\n0.758953 0.443456 0.821245 Na\n0.221830 0.059220 0.063311 O\n0.316411 0.353615 0.098809 O\n0.525159 0.791533 0.108804 O\n0.353445 0.140361 0.211022 O\n0.617809 0.586730 0.263427 O\n0.016959 0.304719 0.442077 O\n0.319431 0.918274 0.500217 O\n0.041465 0.720793 0.676848 O\n0.019486 0.215978 0.727652 O\n0.654319 0.898316 0.740440 O\n0.704775 0.891152 0.843843 O\n0.946707 0.404801 0.950003 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"C",
"H",
"Na",
"O"
],
"chemical_system": "C-H-Na-O",
"density": 1.7233085388421756,
"density_atomic": 0.07412278643086255,
"volume": 323.7870721763248,
"volume_molar": 8.124547187142115,
"formula_full": "Na4 H4 C4 O12",
"formula_reduced": "NaHCO3",
"formula_anonymous": "ABCD3",
"formation_energy": -1.69388259594535,
"spacegroup": 1
},
{
"id": "oqmd-23424",
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