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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=12123",
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"results": [
{
"id": "mp-1077688",
"created_at": "2022-09-04T14:40:25.463455Z",
"structure_string": "Sr4 Ca28 Ti4 Mn28 O80\n1.0\n-0.013575 0.007979 10.904118\n11.162224 0.002347 -0.013689\n-5.570524 15.398541 -5.434344\nSr Ca Ti Mn O\n4 28 4 28 80\ndirect\n0.309781 0.561618 0.609732 Sr\n0.057249 0.297264 0.609917 Sr\n0.561453 0.300129 0.611166 Sr\n0.446669 0.202001 0.888029 Sr\n0.305832 0.066528 0.112438 Ca\n0.304320 0.059659 0.603470 Ca\n0.310704 0.565695 0.111053 Ca\n0.807378 0.069106 0.112970 Ca\n0.805438 0.061935 0.604916 Ca\n0.804411 0.562867 0.112088 Ca\n0.805175 0.565006 0.606141 Ca\n0.199617 0.435409 0.392337 Ca\n0.199968 0.436566 0.893089 Ca\n0.196555 0.934287 0.391516 Ca\n0.193260 0.936167 0.889254 Ca\n0.699873 0.435401 0.392831 Ca\n0.694897 0.432663 0.891565 Ca\n0.700281 0.935203 0.390973 Ca\n0.696568 0.938067 0.889433 Ca\n0.057958 0.295738 0.111580 Ca\n0.060523 0.794681 0.111324 Ca\n0.055332 0.795993 0.606692 Ca\n0.556824 0.298161 0.111402 Ca\n0.552176 0.793684 0.112578 Ca\n0.556613 0.794845 0.606872 Ca\n0.448634 0.206070 0.392189 Ca\n0.449234 0.705476 0.392076 Ca\n0.441247 0.702582 0.891368 Ca\n0.947385 0.204305 0.390778 Ca\n0.948578 0.205209 0.888924 Ca\n0.949131 0.705095 0.391681 Ca\n0.948354 0.705599 0.889662 Ca\n0.006461 0.001331 0.000699 Ti\n0.005867 0.500189 0.000033 Ti\n0.505679 0.000965 0.002293 Ti\n0.755622 0.751069 0.002171 Ti\n0.005195 0.996102 0.497420 Mn\n0.003815 0.499922 0.497639 Mn\n0.505930 0.998139 0.498132 Mn\n0.507020 0.501789 0.001575 Mn\n0.506625 0.501221 0.498268 Mn\n0.255595 0.251080 0.001632 Mn\n0.254377 0.248253 0.496310 Mn\n0.254860 0.751339 0.000621 Mn\n0.256523 0.749523 0.498284 Mn\n0.757198 0.249681 0.001109 Mn\n0.755338 0.248642 0.497587 Mn\n0.756786 0.749742 0.499037 Mn\n0.109294 0.093711 0.249748 Mn\n0.102885 0.093143 0.747139 Mn\n0.111864 0.595092 0.250577 Mn\n0.106546 0.599131 0.749098 Mn\n0.610107 0.095015 0.250696 Mn\n0.609120 0.092616 0.745604 Mn\n0.612742 0.595678 0.251981 Mn\n0.615875 0.601928 0.753693 Mn\n0.359075 0.404592 0.252302 Mn\n0.363555 0.404264 0.751942 Mn\n0.359634 0.904771 0.252969 Mn\n0.361602 0.904324 0.748473 Mn\n0.858904 0.403396 0.252151 Mn\n0.862335 0.404745 0.751049 Mn\n0.857602 0.904222 0.249843 Mn\n0.860806 0.904184 0.748683 Mn\n0.123359 0.117183 0.486038 O\n0.122480 0.119652 0.985006 O\n0.121285 0.620403 0.485315 O\n0.122649 0.620492 0.985995 O\n0.621821 0.117007 0.483871 O\n0.628013 0.116816 0.989316 O\n0.622820 0.619673 0.484571 O\n0.624590 0.621567 0.986344 O\n0.140334 0.380322 0.017213 O\n0.130350 0.377244 0.504820 O\n0.138581 0.883070 0.015354 O\n0.136753 0.879934 0.513009 O\n0.640918 0.376029 0.014091 O\n0.636085 0.380737 0.507959 O\n0.639277 0.880828 0.017511 O\n0.636449 0.878370 0.511677 O\n0.372923 0.114233 0.486631 O\n0.370962 0.116389 0.989736 O\n0.373704 0.616536 0.483625 O\n0.370212 0.623626 0.989238 O\n0.872351 0.113933 0.484550 O\n0.874816 0.116930 0.986820 O\n0.872568 0.617280 0.484697 O\n0.873884 0.614687 0.984196 O\n0.385550 0.383912 0.014344 O\n0.384623 0.380010 0.506547 O\n0.387984 0.883441 0.014245 O\n0.387697 0.882368 0.512095 O\n0.886966 0.383115 0.012842 O\n0.882629 0.384942 0.510213 O\n0.890033 0.886576 0.017243 O\n0.887720 0.882198 0.513827 O\n0.081429 0.096040 0.128039 O\n0.076170 0.083447 0.630938 O\n0.078446 0.594037 0.127401 O\n0.073485 0.589040 0.631358 O\n0.578424 0.095034 0.128013 O\n0.580625 0.083776 0.629612 O\n0.579764 0.593514 0.129540 O\n0.578399 0.591932 0.629210 O\n0.446294 0.408996 0.366893 O\n0.448792 0.413993 0.870773 O\n0.445865 0.907337 0.367900 O\n0.453612 0.907246 0.873166 O\n0.944033 0.409140 0.367084 O\n0.957749 0.405081 0.873942 O\n0.949756 0.903126 0.370460 O\n0.952304 0.905385 0.872531 O\n0.334361 0.290164 0.140283 O\n0.321967 0.293535 0.631754 O\n0.331127 0.792295 0.139599 O\n0.327986 0.789060 0.626697 O\n0.836031 0.291847 0.139277 O\n0.821473 0.284240 0.627075 O\n0.833762 0.779547 0.127442 O\n0.828759 0.783545 0.627154 O\n0.199174 0.212132 0.369381 O\n0.187387 0.208467 0.859973 O\n0.200351 0.715925 0.371093 O\n0.192747 0.713854 0.861880 O\n0.700037 0.214902 0.370786 O\n0.693053 0.205074 0.859991 O\n0.699637 0.716232 0.371877 O\n0.707830 0.724343 0.874953 O\n0.419201 0.071311 0.250523 O\n0.425049 0.075744 0.741779 O\n0.421619 0.570175 0.250055 O\n0.431540 0.573235 0.757303 O\n0.919897 0.078916 0.249883 O\n0.921156 0.082380 0.748180 O\n0.921172 0.568672 0.250047 O\n0.926639 0.581245 0.749435 O\n0.176281 0.418971 0.250684 O\n0.180928 0.438529 0.757768 O\n0.175335 0.918308 0.250522 O\n0.171734 0.930190 0.750753 O\n0.675336 0.419176 0.250505 O\n0.679511 0.432054 0.759450 O\n0.667915 0.919095 0.249469 O\n0.671217 0.927397 0.749832 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Ti",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr-Ti",
"density": 3.969988603658636,
"density_atomic": 0.0768063207125673,
"volume": 1874.8456984275026,
"volume_molar": 7.84068381889648,
"formula_full": "Sr4 Ca28 Ti4 Mn28 O80",
"formula_reduced": "SrCa7TiMn7O20",
"formula_anonymous": "ABC7D7E20",
"energy": -1134.9204714,
"energy_per_atom": -7.8813921625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1033.2564714,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 115.6730124,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.132000Z",
"spacegroup": 1
},
{
"id": "mp-648193",
"created_at": "2022-09-04T14:44:15.104721Z",
"structure_string": "C24 S24 N48 O24 F48\n1.0\n11.695202 0.000000 0.000000\n-2.119625 13.482217 0.000000\n-4.629135 -6.587246 15.550044\nC S N O F\n24 24 48 24 48\ndirect\n0.721153 0.325093 0.879201 C\n0.083152 0.205718 0.380487 C\n0.263597 0.184933 0.135533 C\n0.222248 0.329986 0.370475 C\n0.410412 0.306351 0.129428 C\n0.844716 0.444794 0.380599 C\n0.155284 0.555206 0.619401 C\n0.278847 0.674907 0.120799 C\n0.265510 0.289371 0.487621 C\n0.589588 0.693649 0.870572 C\n0.777752 0.670014 0.629525 C\n0.707160 0.307689 0.377056 C\n0.860439 0.462051 0.883595 C\n0.139561 0.537949 0.116405 C\n0.292840 0.692311 0.622944 C\n0.781339 0.308505 0.764354 C\n0.916848 0.794282 0.619513 C\n0.232985 0.223750 0.017356 C\n0.772977 0.288943 0.264314 C\n0.736403 0.815067 0.864467 C\n0.767015 0.776250 0.982644 C\n0.218661 0.691495 0.235646 C\n0.734490 0.710629 0.512379 C\n0.227023 0.711057 0.735686 C\n0.173848 0.260772 0.877961 S\n0.450175 0.837816 0.611077 S\n0.071809 0.962203 0.634948 S\n0.332232 0.245956 0.622357 S\n0.574822 0.172228 0.889776 S\n0.574312 0.468861 0.146494 S\n0.425688 0.531139 0.853506 S\n0.971458 0.369954 0.090609 S\n0.667768 0.754044 0.377643 S\n0.299819 0.883751 0.873304 S\n0.425178 0.827772 0.110224 S\n0.893694 0.951807 0.845752 S\n0.700181 0.116249 0.126696 S\n0.010869 0.608459 0.401855 S\n0.549825 0.162184 0.388923 S\n0.106306 0.048193 0.154248 S\n0.928191 0.037797 0.365052 S\n0.028542 0.630046 0.909391 S\n0.367048 0.469505 0.343918 S\n0.277669 0.864588 0.371347 S\n0.826152 0.739228 0.122039 S\n0.989131 0.391541 0.598145 S\n0.722331 0.135412 0.628653 S\n0.632952 0.530495 0.656082 S\n0.648737 0.286165 0.920079 N\n0.623195 0.746666 0.824556 N\n0.842977 0.784565 0.542932 N\n0.297940 0.757042 0.701087 N\n0.936902 0.565887 0.932173 N\n0.772741 0.254500 0.678897 N\n0.208351 0.573827 0.075642 N\n0.063098 0.434113 0.067827 N\n0.227259 0.745500 0.321103 N\n0.702060 0.242958 0.298913 N\n0.890915 0.738796 0.665979 N\n0.695738 0.651421 0.552821 N\n0.153917 0.610196 0.698340 N\n0.157023 0.215435 0.457068 N\n0.304262 0.348579 0.447179 N\n0.225610 0.131676 0.183612 N\n0.376805 0.253334 0.175444 N\n0.226431 0.769824 0.817733 N\n0.343587 0.295532 0.050467 N\n0.527007 0.379316 0.170687 N\n0.187612 0.166310 0.056788 N\n0.774390 0.868324 0.816388 N\n0.347904 0.308879 0.568477 N\n0.365065 0.728988 0.581118 N\n0.652096 0.691121 0.431523 N\n0.081421 0.450166 0.571977 N\n0.472993 0.620684 0.829313 N\n0.634935 0.271012 0.418882 N\n0.141283 0.592335 0.196404 N\n0.791649 0.426173 0.924358 N\n0.032699 0.868509 0.657065 N\n0.109085 0.261204 0.334021 N\n0.773569 0.230176 0.182267 N\n0.846083 0.389804 0.301660 N\n0.286435 0.738823 0.200127 N\n0.713565 0.261177 0.799873 N\n0.656413 0.704468 0.949533 N\n0.845373 0.795669 0.064582 N\n0.222743 0.590894 0.578100 N\n0.967301 0.131491 0.342935 N\n0.918579 0.549834 0.428023 N\n0.154627 0.204331 0.935418 N\n0.253020 0.383243 0.320304 N\n0.858717 0.407665 0.803596 N\n0.746980 0.616757 0.679696 N\n0.777257 0.409106 0.421900 N\n0.812388 0.833690 0.943212 N\n0.351263 0.713835 0.079921 N\n0.078974 0.232386 0.798803 O\n0.688989 0.543141 0.201953 O\n0.311011 0.456859 0.798047 O\n0.480772 0.144597 0.440724 O\n0.186940 0.037388 0.687763 O\n0.270270 0.910131 0.454381 O\n0.100006 0.732680 0.972183 O\n0.813060 0.962612 0.312237 O\n0.899994 0.267320 0.027817 O\n0.519228 0.855403 0.559276 O\n0.729730 0.089869 0.545619 O\n0.574268 0.724803 0.297596 O\n0.712254 0.067035 0.045489 O\n0.425732 0.275197 0.702404 O\n0.287746 0.932965 0.954511 O\n0.916331 0.998116 0.788308 O\n0.083669 0.001884 0.211692 O\n0.921026 0.767614 0.201197 O\n0.378381 0.512476 0.282022 O\n0.510200 0.147775 0.941673 O\n0.081980 0.712855 0.460850 O\n0.918020 0.287145 0.539150 O\n0.489800 0.852225 0.058327 O\n0.621619 0.487524 0.717978 O\n0.933212 0.069970 0.461530 F\n0.901255 0.460778 0.628033 F\n0.795772 0.762023 0.362002 F\n0.913803 0.045038 0.933820 F\n0.718398 0.037851 0.175478 F\n0.382496 0.930181 0.631656 F\n0.481500 0.125463 0.794335 F\n0.048863 0.386541 0.688145 F\n0.969855 0.025397 0.625528 F\n0.489248 0.437496 0.376722 F\n0.777324 0.070326 0.681967 F\n0.098745 0.539222 0.371967 F\n0.701292 0.744652 0.141098 F\n0.541850 0.879037 0.706349 F\n0.510752 0.562504 0.623278 F\n0.787350 0.612915 0.073528 F\n0.032595 0.356931 0.176921 F\n0.420985 0.570697 0.947875 F\n0.281602 0.962149 0.824522 F\n0.389834 0.565597 0.431008 F\n0.951137 0.613459 0.311855 F\n0.030145 0.974603 0.374472 F\n0.610166 0.434403 0.568992 F\n0.617504 0.069819 0.368344 F\n0.524307 0.467011 0.871723 F\n0.345898 0.911112 0.130615 F\n0.212650 0.387085 0.926472 F\n0.558104 0.100498 0.113833 F\n0.204228 0.237977 0.637998 F\n0.414249 0.906259 0.375410 F\n0.518500 0.874537 0.205665 F\n0.585751 0.093741 0.624590 F\n0.305383 0.120957 0.570335 F\n0.298708 0.255348 0.858902 F\n0.009690 0.912721 0.880165 F\n0.116860 0.564292 0.875628 F\n0.990310 0.087279 0.119835 F\n0.883140 0.435708 0.124372 F\n0.086197 0.954962 0.066180 F\n0.441896 0.899502 0.886167 F\n0.694617 0.879043 0.429665 F\n0.579015 0.429303 0.052125 F\n0.458150 0.120963 0.293651 F\n0.066788 0.930030 0.538470 F\n0.475693 0.532989 0.128277 F\n0.222676 0.929674 0.318033 F\n0.967405 0.643069 0.823079 F\n0.654102 0.088888 0.869385 F\n",
"nsites": 168,
"nelements": 5,
"elements": [
"C",
"S",
"N",
"O",
"F"
],
"chemical_system": "C-F-N-O-S",
"density": 2.0493878390078764,
"density_atomic": 0.06851862184808773,
"volume": 2451.8881943141223,
"volume_molar": 8.789057044013022,
"formula_full": "C24 S24 N48 O24 F48",
"formula_reduced": "CSN2OF2",
"formula_anonymous": "ABCD2E2",
"energy": -1089.41336671,
"energy_per_atom": -6.484603373273809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1033.42136671,
"band_gap": 3.7253,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0057961,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.240000Z",
"spacegroup": 2
},
{
"id": "mp-1247683",
"created_at": "2022-09-04T14:44:30.813790Z",
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O\n0.425678 0.629744 0.755728 O\n0.983861 0.310283 0.409135 O\n0.269603 0.842405 0.232015 O\n0.405377 0.503916 0.989155 O\n0.007324 0.801967 0.915767 O\n0.014496 0.548295 0.609100 O\n0.507324 0.198033 0.084233 O\n0.042381 0.377857 0.084364 O\n0.632033 0.763453 0.865964 O\n0.496638 0.458914 0.825319 O\n0.816549 0.223253 0.501021 O\n0.359855 0.970937 0.162708 O\n0.286427 0.339460 0.787117 O\n0.693866 0.231686 0.380428 O\n0.977646 0.029970 0.147449 O\n0.360507 0.681397 0.917838 O\n0.966059 0.377569 0.619556 O\n0.996638 0.541086 0.174681 O\n0.674866 0.718381 0.582770 O\n0.916353 0.865418 0.754479 O\n0.074849 0.653638 0.279502 O\n0.483861 0.689717 0.590865 O\n0.074212 0.700751 0.037340 O\n0.039329 0.228170 0.988996 O\n0.132033 0.236547 0.134036 O\n0.544606 0.511163 0.665425 O\n0.376666 0.427772 0.136338 O\n0.663514 0.481469 0.784758 O\n0.663959 0.264734 0.105877 O\n0.395456 0.123287 0.880924 O\n0.394228 0.971806 0.646559 O\n0.542381 0.622143 0.915636 O\n0.968176 0.869972 0.379459 O\n0.928129 0.481702 0.481844 O\n0.382635 0.606651 0.128084 O\n0.487312 0.191093 0.406729 O\n0.860507 0.318603 0.082162 O\n0.987312 0.808907 0.593271 O\n0.188564 0.659754 0.483579 O\n0.580753 0.865587 0.259441 O\n0.786427 0.660540 0.212883 O\n0.688564 0.340246 0.516421 O\n0.882635 0.393349 0.871916 O\n0.455018 0.020846 0.011508 O\n0.548304 0.982145 0.568800 O\n0.894228 0.028194 0.353441 O\n0.318046 0.969199 0.920164 O\n0.141122 0.860987 0.012364 O\n0.797663 0.833137 0.609063 O\n0.404032 0.033100 0.489139 O\n0.553833 0.017609 0.173107 O\n0.641122 0.139013 0.987636 O\n0.311396 0.284541 0.521948 O\n0.325925 0.148077 0.083843 O\n0.769603 0.157595 0.767985 O\n0.185100 0.464884 0.721292 O\n0.316549 0.776747 0.498979 O\n0.801800 0.492129 0.161510 O\n0.517095 0.003029 0.342359 O\n0.905377 0.496084 0.010845 O\n0.416353 0.134582 0.245521 O\n0.466059 0.622431 0.380444 O\n0.352416 0.459460 0.679603 O\n0.428129 0.518298 0.518156 O\n0.811396 0.715459 0.478052 O\n0.195832 0.000934 0.211575 O\n0.297663 0.166863 0.390937 O\n0.574212 0.299249 0.962660 O\n0.468176 0.130028 0.620541 O\n0.346942 0.493692 0.372004 O\n0.048304 0.017855 0.431200 O\n0.302744 0.635177 0.607356 O\n0.802744 0.364823 0.392644 O\n0.699393 0.848913 0.467997 O\n0.044606 0.488837 0.334575 O\n0.685100 0.535116 0.278708 O\n0.017095 0.996971 0.657641 O\n0.477646 0.970030 0.852551 O\n",
"nsites": 172,
"nelements": 4,
"elements": [
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"S",
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],
"chemical_system": "K-O-S-V",
"density": 2.484377638746936,
"density_atomic": 0.061916067532912324,
"volume": 2777.9542024139546,
"volume_molar": 9.726297227773468,
"formula_full": "K32 V8 S24 O108",
"formula_reduced": "K8V2(S2O9)3",
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"updated_at": "2021-11-28T01:37:14.085000Z",
"spacegroup": 4
},
{
"id": "mp-1247596",
"created_at": "2022-09-04T14:43:20.760570Z",
"structure_string": "Ca32 Mn32 O84\n1.0\n10.958182 -0.043554 -0.162896\n-0.057323 15.428112 -0.001474\n-0.158755 0.000975 10.942040\nCa Mn O\n32 32 84\ndirect\n0.997849 0.111256 0.511144 Ca\n0.999485 0.110242 0.006496 Ca\n0.008412 0.621525 0.511419 Ca\n0.019145 0.620449 0.993032 Ca\n0.544569 0.126953 0.473532 Ca\n0.542498 0.129621 0.983932 Ca\n0.529026 0.628122 0.511623 Ca\n0.532402 0.622308 0.973955 Ca\n0.509833 0.386820 0.983279 Ca\n0.502146 0.379145 0.507839 Ca\n0.516493 0.860760 0.981772 Ca\n0.491514 0.867778 0.508226 Ca\n0.964404 0.385340 0.006263 Ca\n0.960644 0.385084 0.500734 Ca\n0.958628 0.881387 0.000977 Ca\n0.967460 0.873641 0.513496 Ca\n0.235606 0.391453 0.251973 Ca\n0.236236 0.398189 0.774900 Ca\n0.231461 0.890832 0.269673 Ca\n0.220079 0.874003 0.736341 Ca\n0.751851 0.379740 0.252820 Ca\n0.736123 0.382475 0.752804 Ca\n0.760425 0.869810 0.255591 Ca\n0.738855 0.867892 0.750264 Ca\n0.226419 0.118786 0.239252 Ca\n0.223814 0.114907 0.744539 Ca\n0.238098 0.624859 0.261783 Ca\n0.265270 0.628692 0.740564 Ca\n0.782544 0.122981 0.254132 Ca\n0.782906 0.123607 0.752480 Ca\n0.782851 0.620261 0.255238 Ca\n0.773780 0.622544 0.758661 Ca\n0.993722 0.995949 0.254896 Mn\n0.992774 0.994181 0.755418 Mn\n0.003002 0.500747 0.251330 Mn\n0.997979 0.499219 0.754931 Mn\n0.506154 0.985217 0.230683 Mn\n0.507422 0.994628 0.732413 Mn\n0.506857 0.489997 0.244384 Mn\n0.495165 0.500839 0.749103 Mn\n0.243140 0.997244 0.014618 Mn\n0.239757 0.004242 0.514252 Mn\n0.254873 0.508168 0.010094 Mn\n0.238272 0.494611 0.511341 Mn\n0.741864 0.001142 0.996047 Mn\n0.745029 0.998442 0.495237 Mn\n0.751505 0.502597 0.001534 Mn\n0.745332 0.502240 0.504066 Mn\n0.268254 0.239233 0.957620 Mn\n0.267538 0.243398 0.452179 Mn\n0.261512 0.755337 0.978249 Mn\n0.248040 0.752021 0.498208 Mn\n0.754766 0.249182 0.004602 Mn\n0.757214 0.248431 0.503185 Mn\n0.754527 0.746208 0.000800 Mn\n0.752536 0.745710 0.505382 Mn\n0.994696 0.253474 0.257948 Mn\n0.994461 0.256095 0.764899 Mn\n0.997817 0.750820 0.263896 Mn\n0.997247 0.750110 0.750385 Mn\n0.512978 0.252365 0.248942 Mn\n0.515694 0.247587 0.749486 Mn\n0.519560 0.749983 0.261803 Mn\n0.502554 0.747493 0.746126 Mn\n0.098856 0.771310 0.608877 O\n0.583400 0.260500 0.087307 O\n0.582658 0.252841 0.591728 O\n0.596732 0.756132 0.107636 O\n0.601368 0.761576 0.600833 O\n0.398672 0.184285 0.344772 O\n0.402023 0.188682 0.849363 O\n0.406805 0.698475 0.361345 O\n0.409491 0.732358 0.896031 O\n0.911727 0.237142 0.420499 O\n0.910389 0.236122 0.925157 O\n0.894341 0.729197 0.407683 O\n0.898763 0.731957 0.902809 O\n0.165004 0.252834 0.293715 O\n0.166877 0.251699 0.809909 O\n0.160938 0.751175 0.335356 O\n0.146056 0.739256 0.850008 O\n0.658717 0.226365 0.352543 O\n0.660283 0.226069 0.850178 O\n0.659442 0.721882 0.352529 O\n0.649595 0.728611 0.853825 O\n0.354880 0.766420 0.643505 O\n0.847343 0.270809 0.155801 O\n0.853248 0.274380 0.656770 O\n0.866356 0.770843 0.141629 O\n0.850892 0.769559 0.648548 O\n0.355347 0.511516 0.166272 O\n0.349414 0.490230 0.647705 O\n0.348175 0.006953 0.165534 O\n0.347497 0.001438 0.663584 O\n0.858221 0.484072 0.145519 O\n0.854568 0.479356 0.646693 O\n0.847611 0.980669 0.143177 O\n0.846699 0.979832 0.644593 O\n0.147669 0.014417 0.363400 O\n0.151842 0.002728 0.863908 O\n0.150049 0.508130 0.356366 O\n0.148927 0.523975 0.861463 O\n0.633629 0.023616 0.338690 O\n0.632175 0.032001 0.843312 O\n0.623770 0.525148 0.365697 O\n0.642362 0.515293 0.857145 O\n0.395056 0.514650 0.902591 O\n0.887750 0.016469 0.391860 O\n0.886609 0.013949 0.895320 O\n0.891732 0.517986 0.390622 O\n0.893274 0.517648 0.898171 O\n0.111558 0.477350 0.106759 O\n0.097187 0.473114 0.616891 O\n0.096043 0.974338 0.118947 O\n0.094796 0.980308 0.618663 O\n0.611075 0.488429 0.106742 O\n0.599843 0.485700 0.612201 O\n0.585248 0.991864 0.077034 O\n0.588383 0.995453 0.578007 O\n0.997386 0.377720 0.286020 O\n0.010028 0.378886 0.800545 O\n0.994963 0.873699 0.296391 O\n0.997609 0.872160 0.792031 O\n0.471395 0.374690 0.291211 O\n0.487810 0.370887 0.770072 O\n0.472306 0.871343 0.290207 O\n0.515985 0.873766 0.774078 O\n0.486467 0.624888 0.719755 O\n0.999090 0.128131 0.217707 O\n0.999901 0.129181 0.726794 O\n0.007892 0.627799 0.216561 O\n0.990324 0.624103 0.718977 O\n0.223999 0.129293 0.024061 O\n0.221933 0.132767 0.535326 O\n0.231445 0.651533 0.054572 O\n0.230235 0.624266 0.523304 O\n0.748221 0.125301 0.040898 O\n0.754097 0.124462 0.537459 O\n0.745376 0.624418 0.039769 O\n0.745405 0.624080 0.545694 O\n0.283823 0.371648 0.474137 O\n0.293740 0.355815 0.992154 O\n0.280332 0.884083 0.475406 O\n0.294686 0.875886 0.999106 O\n0.742722 0.375594 0.466780 O\n0.748241 0.375554 0.967972 O\n0.744607 0.873125 0.464686 O\n0.741254 0.874029 0.965934 O\n",
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"elements": [
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"Mn",
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],
"chemical_system": "Ca-Mn-O",
"density": 3.9365521476852456,
"density_atomic": 0.08002251811190383,
"volume": 1849.4794151945603,
"volume_molar": 7.525557683124408,
"formula_full": "Ca32 Mn32 O84",
"formula_reduced": "Ca8Mn8O21",
"formula_anonymous": "A8B8C21",
"energy": -1146.21582631,
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"updated_at": "2021-11-28T01:36:07.868000Z",
"spacegroup": 1
},
{
"id": "mp-683952",
"created_at": "2022-09-04T14:40:40.052889Z",
"structure_string": "Si48 O96\n1.0\n13.083924 0.000000 0.000000\n0.000000 13.083924 0.000000\n0.000000 0.000000 13.083924\nSi O\n48 96\ndirect\n0.114998 0.638207 0.375030 Si\n0.624970 0.114998 0.361793 Si\n0.124970 0.138207 0.614998 Si\n0.138207 0.614998 0.875030 Si\n0.861793 0.614998 0.875030 Si\n0.861793 0.385002 0.124970 Si\n0.614998 0.875030 0.861793 Si\n0.375030 0.114998 0.638207 Si\n0.385002 0.875030 0.138207 Si\n0.361793 0.375030 0.885002 Si\n0.138207 0.385002 0.124970 Si\n0.885002 0.361793 0.375030 Si\n0.861793 0.614998 0.124970 Si\n0.124970 0.861793 0.614998 Si\n0.885002 0.638207 0.624970 Si\n0.624970 0.885002 0.361793 Si\n0.614998 0.124970 0.138207 Si\n0.875030 0.138207 0.385002 Si\n0.624970 0.114998 0.638207 Si\n0.375030 0.885002 0.638207 Si\n0.875030 0.861793 0.614998 Si\n0.138207 0.385002 0.875030 Si\n0.138207 0.614998 0.124970 Si\n0.638207 0.624970 0.885002 Si\n0.385002 0.124970 0.861793 Si\n0.375030 0.114998 0.361793 Si\n0.885002 0.638207 0.375030 Si\n0.885002 0.361793 0.624970 Si\n0.361793 0.624970 0.114998 Si\n0.875030 0.861793 0.385002 Si\n0.624970 0.885002 0.638207 Si\n0.361793 0.624970 0.885002 Si\n0.375030 0.885002 0.361793 Si\n0.861793 0.385002 0.875030 Si\n0.361793 0.375030 0.114998 Si\n0.114998 0.638207 0.624970 Si\n0.638207 0.375030 0.114998 Si\n0.385002 0.124970 0.138207 Si\n0.614998 0.875030 0.138207 Si\n0.114998 0.361793 0.375030 Si\n0.385002 0.875030 0.861793 Si\n0.638207 0.375030 0.885002 Si\n0.114998 0.361793 0.624970 Si\n0.614998 0.124970 0.861793 Si\n0.124970 0.861793 0.385002 Si\n0.124970 0.138207 0.385002 Si\n0.638207 0.624970 0.114998 Si\n0.875030 0.138207 0.614998 Si\n0.250000 0.102152 0.397848 O\n0.397848 0.750000 0.897848 O\n0.602152 0.250000 0.102152 O\n0.250000 0.102152 0.602152 O\n0.410130 0.000000 0.623739 O\n0.845023 0.250000 0.345023 O\n0.250000 0.897848 0.602152 O\n0.750000 0.654977 0.154977 O\n0.831125 0.383371 0.500000 O\n0.897848 0.602152 0.750000 O\n0.116629 0.668875 0.000000 O\n0.154977 0.250000 0.345023 O\n0.616629 0.500000 0.168875 O\n0.168875 0.383371 0.500000 O\n0.750000 0.897848 0.602152 O\n0.102152 0.602152 0.250000 O\n0.910130 0.876261 0.500000 O\n0.250000 0.345023 0.845023 O\n0.397848 0.250000 0.102152 O\n0.668875 0.000000 0.883371 O\n0.876261 0.500000 0.089870 O\n0.750000 0.102152 0.602152 O\n0.116629 0.331125 0.000000 O\n0.102152 0.602152 0.750000 O\n0.331125 0.000000 0.883371 O\n0.376261 0.410130 0.000000 O\n0.845023 0.750000 0.345023 O\n0.376261 0.589870 0.000000 O\n0.602152 0.250000 0.897848 O\n0.845023 0.750000 0.654977 O\n0.876261 0.500000 0.910130 O\n0.102152 0.397848 0.750000 O\n0.000000 0.623739 0.589870 O\n0.750000 0.897848 0.397848 O\n0.750000 0.102152 0.397848 O\n0.897848 0.397848 0.750000 O\n0.000000 0.116629 0.668875 O\n0.897848 0.602152 0.250000 O\n0.831125 0.616629 0.500000 O\n0.883371 0.668875 0.000000 O\n0.750000 0.345023 0.845023 O\n0.750000 0.654977 0.845023 O\n0.000000 0.376261 0.410130 O\n0.000000 0.883371 0.331125 O\n0.250000 0.654977 0.845023 O\n0.154977 0.250000 0.654977 O\n0.168875 0.616629 0.500000 O\n0.589870 0.000000 0.623739 O\n0.345023 0.845023 0.750000 O\n0.616629 0.500000 0.831125 O\n0.500000 0.168875 0.383371 O\n0.000000 0.116629 0.331125 O\n0.250000 0.345023 0.154977 O\n0.154977 0.750000 0.654977 O\n0.000000 0.623739 0.410130 O\n0.500000 0.089870 0.123739 O\n0.750000 0.345023 0.154977 O\n0.500000 0.910130 0.876261 O\n0.500000 0.831125 0.616629 O\n0.123739 0.500000 0.910130 O\n0.654977 0.845023 0.750000 O\n0.883371 0.331125 0.000000 O\n0.397848 0.250000 0.897848 O\n0.000000 0.376261 0.589870 O\n0.154977 0.750000 0.345023 O\n0.623739 0.589870 0.000000 O\n0.623739 0.410130 0.000000 O\n0.500000 0.089870 0.876261 O\n0.602152 0.750000 0.897848 O\n0.500000 0.168875 0.616629 O\n0.089870 0.123739 0.500000 O\n0.654977 0.154977 0.250000 O\n0.123739 0.500000 0.089870 O\n0.500000 0.910130 0.123739 O\n0.845023 0.250000 0.654977 O\n0.383371 0.500000 0.168875 O\n0.089870 0.876261 0.500000 O\n0.668875 0.000000 0.116629 O\n0.383371 0.500000 0.831125 O\n0.654977 0.154977 0.750000 O\n0.410130 0.000000 0.376261 O\n0.897848 0.397848 0.250000 O\n0.102152 0.397848 0.250000 O\n0.500000 0.831125 0.383371 O\n0.250000 0.654977 0.154977 O\n0.589870 0.000000 0.376261 O\n0.331125 0.000000 0.116629 O\n0.602152 0.750000 0.102152 O\n0.250000 0.897848 0.397848 O\n0.000000 0.883371 0.668875 O\n0.345023 0.845023 0.250000 O\n0.910130 0.123739 0.500000 O\n0.654977 0.845023 0.250000 O\n0.397848 0.750000 0.102152 O\n0.345023 0.154977 0.250000 O\n0.345023 0.154977 0.750000 O\n",
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"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.1381457308152387,
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"volume": 2239.824745369951,
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"formula_full": "Si48 O96",
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"updated_at": "2021-11-28T01:35:02.885000Z",
"spacegroup": 223
},
{
"id": "mp-1247575",
"created_at": "2022-09-04T14:46:55.393532Z",
"structure_string": "Sr4 Ca28 Mn28 Cr4 O84\n1.0\n11.026934 -0.047171 -0.146259\n-0.062411 15.529763 -0.006773\n-0.141866 -0.003562 11.020106\nSr Ca Mn Cr O\n4 28 28 4 84\ndirect\n0.996582 0.110822 0.508736 Sr\n0.510620 0.384796 0.987286 Sr\n0.240079 0.387363 0.246646 Sr\n0.230798 0.119817 0.242173 Sr\n0.992631 0.111039 0.006427 Ca\n0.008324 0.623885 0.510150 Ca\n0.012143 0.621562 0.994139 Ca\n0.542462 0.125666 0.476686 Ca\n0.548555 0.128685 0.986242 Ca\n0.529214 0.629976 0.512393 Ca\n0.533201 0.621637 0.973634 Ca\n0.499165 0.380038 0.513989 Ca\n0.517777 0.859247 0.982646 Ca\n0.493311 0.867864 0.510237 Ca\n0.965450 0.388610 0.004126 Ca\n0.958323 0.389369 0.502408 Ca\n0.956114 0.879518 0.002186 Ca\n0.968074 0.872542 0.510557 Ca\n0.235103 0.406195 0.762324 Ca\n0.228390 0.887500 0.271881 Ca\n0.220626 0.871608 0.736898 Ca\n0.760709 0.384891 0.252033 Ca\n0.736681 0.384839 0.753450 Ca\n0.764458 0.868764 0.258535 Ca\n0.738911 0.866985 0.749625 Ca\n0.222362 0.107611 0.737714 Ca\n0.237586 0.625842 0.261295 Ca\n0.268327 0.630854 0.738429 Ca\n0.776576 0.113473 0.251300 Ca\n0.782485 0.122026 0.754567 Ca\n0.781308 0.621939 0.252378 Ca\n0.771486 0.623125 0.758178 Ca\n0.993876 0.991613 0.757527 Mn\n0.002116 0.502562 0.252566 Mn\n0.996526 0.501167 0.753561 Mn\n0.505454 0.981244 0.228652 Mn\n0.507755 0.993309 0.736070 Mn\n0.509191 0.495446 0.245193 Mn\n0.495710 0.502576 0.746701 Mn\n0.241716 0.999113 0.514652 Mn\n0.251528 0.520557 0.008384 Mn\n0.237537 0.497909 0.509806 Mn\n0.742960 0.999529 0.995312 Mn\n0.742984 0.997516 0.497107 Mn\n0.752701 0.504074 0.000720 Mn\n0.743771 0.504411 0.502706 Mn\n0.267356 0.245638 0.463554 Mn\n0.259642 0.755612 0.975267 Mn\n0.248565 0.751494 0.498639 Mn\n0.759739 0.249516 0.004433 Mn\n0.748526 0.250793 0.505795 Mn\n0.754127 0.746464 0.999899 Mn\n0.752527 0.745947 0.505598 Mn\n0.995435 0.256963 0.764117 Mn\n0.997953 0.750343 0.263115 Mn\n0.996759 0.749903 0.748953 Mn\n0.523586 0.257066 0.257351 Mn\n0.511553 0.248084 0.749957 Mn\n0.520328 0.748961 0.262520 Mn\n0.503936 0.747535 0.747984 Mn\n0.993748 0.995622 0.253355 Cr\n0.236488 0.991686 0.013108 Cr\n0.266427 0.231605 0.940140 Cr\n0.985173 0.253113 0.269061 Cr\n0.098315 0.771065 0.608106 O\n0.592948 0.256249 0.101158 O\n0.576009 0.251084 0.587495 O\n0.596711 0.754363 0.108276 O\n0.603103 0.762333 0.602057 O\n0.403806 0.200814 0.350535 O\n0.394513 0.181985 0.857308 O\n0.407025 0.696481 0.360090 O\n0.408856 0.729899 0.896949 O\n0.908728 0.240520 0.408357 O\n0.911353 0.236966 0.921355 O\n0.893021 0.729979 0.407340 O\n0.898048 0.733136 0.900745 O\n0.147530 0.251289 0.313459 O\n0.178529 0.252754 0.801119 O\n0.159956 0.749434 0.336768 O\n0.145213 0.737781 0.846997 O\n0.659500 0.220200 0.346887 O\n0.657993 0.228801 0.857731 O\n0.659185 0.721637 0.354333 O\n0.649148 0.727804 0.854852 O\n0.355831 0.765219 0.643512 O\n0.865033 0.276153 0.150240 O\n0.858377 0.276083 0.650957 O\n0.866494 0.769993 0.140986 O\n0.851912 0.770726 0.647241 O\n0.361043 0.516861 0.160146 O\n0.350545 0.496431 0.642945 O\n0.349768 0.002526 0.160339 O\n0.347128 0.996048 0.663024 O\n0.861333 0.486910 0.143032 O\n0.853322 0.479840 0.644786 O\n0.845456 0.977913 0.140760 O\n0.852571 0.979666 0.647852 O\n0.145355 0.008689 0.366224 O\n0.149715 0.002886 0.861097 O\n0.148591 0.511278 0.357826 O\n0.146971 0.526440 0.859912 O\n0.625564 0.023470 0.339865 O\n0.635578 0.031505 0.848251 O\n0.625349 0.530057 0.364351 O\n0.640715 0.514308 0.857434 O\n0.387966 0.513022 0.899234 O\n0.879191 0.011014 0.387361 O\n0.887163 0.011532 0.895924 O\n0.888106 0.520202 0.390643 O\n0.892138 0.516897 0.895125 O\n0.111483 0.481533 0.104019 O\n0.096833 0.476336 0.616515 O\n0.099566 0.972244 0.110401 O\n0.097819 0.978353 0.621385 O\n0.615438 0.495120 0.109748 O\n0.601176 0.488237 0.609283 O\n0.587568 0.992260 0.077678 O\n0.590864 0.994447 0.582004 O\n0.993732 0.380937 0.290754 O\n0.014809 0.379061 0.798365 O\n0.998398 0.871529 0.292939 O\n0.000554 0.871545 0.794813 O\n0.478214 0.378233 0.291361 O\n0.485704 0.375200 0.761441 O\n0.473128 0.869477 0.292348 O\n0.517884 0.870771 0.776262 O\n0.489086 0.625404 0.720283 O\n0.993122 0.127679 0.219721 O\n0.001950 0.128397 0.735213 O\n0.006189 0.628247 0.216330 O\n0.985753 0.625349 0.716948 O\n0.213525 0.135842 0.018629 O\n0.236396 0.128166 0.531800 O\n0.224870 0.653860 0.055355 O\n0.229067 0.625866 0.523848 O\n0.755233 0.124744 0.038854 O\n0.752803 0.124876 0.538114 O\n0.749449 0.625550 0.035716 O\n0.744872 0.625299 0.547285 O\n0.282096 0.372390 0.484610 O\n0.293112 0.326643 0.021920 O\n0.281596 0.880606 0.474661 O\n0.295886 0.876047 0.988266 O\n0.738852 0.378113 0.464272 O\n0.750229 0.376534 0.970915 O\n0.744288 0.871301 0.466410 O\n0.739933 0.872696 0.965096 O\n",
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"elements": [
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"Ca",
"Mn",
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"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 4.015715021349037,
"density_atomic": 0.07844008381717735,
"volume": 1886.790436697493,
"volume_molar": 7.67737675298255,
"formula_full": "Sr4 Ca28 Mn28 Cr4 O84",
"formula_reduced": "SrCa7Mn7CrO21",
"formula_anonymous": "ABC7D7E21",
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"updated_at": "2021-11-28T01:37:42.750000Z",
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}
]
}