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{
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{
"id": "mp-4126",
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"structure_string": "K1 U1 O3\n1.0\n4.331460 0.000000 0.000000\n0.000000 4.331460 0.000000\n0.000000 0.000000 4.331460\nK U O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.000000 O\n",
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"formula_full": "K1 U1 O3",
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{
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"structure_string": "Li4 Mn8 F28\n1.0\n8.103038 0.000000 -0.103693\n0.000000 8.099986 0.000000\n1.513401 0.000000 8.162444\nLi Mn F\n4 8 28\ndirect\n0.127785 0.091646 0.651970 Li\n0.372215 0.591646 0.848030 Li\n0.627785 0.408354 0.151970 Li\n0.872215 0.908354 0.348030 Li\n0.035118 0.718208 0.706845 Mn\n0.301504 0.381885 0.418896 Mn\n0.198496 0.881885 0.081104 Mn\n0.464882 0.218208 0.793155 Mn\n0.535118 0.781792 0.206845 Mn\n0.801504 0.118115 0.918896 Mn\n0.698496 0.618115 0.581104 Mn\n0.964882 0.281792 0.293155 Mn\n0.052289 0.062470 0.144240 F\n0.144843 0.423480 0.229330 F\n0.050649 0.765139 0.229466 F\n0.112121 0.213188 0.445754 F\n0.151880 0.692408 0.887369 F\n0.192678 0.865702 0.610655 F\n0.172319 0.514859 0.577455 F\n0.387879 0.713188 0.054246 F\n0.449351 0.265139 0.270534 F\n0.355157 0.923480 0.270670 F\n0.327681 0.014859 0.922545 F\n0.307322 0.365702 0.889345 F\n0.348120 0.192408 0.612631 F\n0.447711 0.562470 0.355760 F\n0.552289 0.437530 0.644240 F\n0.651880 0.807592 0.387369 F\n0.692678 0.634298 0.110655 F\n0.672319 0.985141 0.077455 F\n0.644843 0.076520 0.729330 F\n0.550649 0.734861 0.729466 F\n0.612121 0.286812 0.945754 F\n0.827681 0.485141 0.422545 F\n0.807322 0.134298 0.389345 F\n0.848120 0.307592 0.112631 F\n0.887879 0.786812 0.554246 F\n0.949351 0.234861 0.770534 F\n0.855157 0.576520 0.770670 F\n0.947711 0.937530 0.855760 F\n",
"nsites": 40,
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"formula_full": "Li4 Mn8 F28",
"formula_reduced": "LiMn2F7",
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{
"id": "mp-1009878",
"created_at": "2022-09-04T14:40:25.931837Z",
"structure_string": "Zr1 C1\n1.0\n2.934768 0.000000 0.000000\n0.000000 2.934768 0.000000\n0.000000 0.000000 2.934768\nZr C\n1 1\ndirect\n0.000000 0.000000 0.000000 Zr\n0.500000 0.500000 0.500000 C\n",
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"elements": [
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],
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"density": 6.781932649840959,
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"formula_full": "Zr1 C1",
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"updated_at": "2021-11-28T01:35:03.358000Z",
"spacegroup": 221
},
{
"id": "mp-1174718",
"created_at": "2022-09-04T14:40:25.931264Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.978666 0.000000 0.000000\n-1.201096 9.669296 0.000000\n-0.459175 -4.376819 8.738204\nLi Mn Co O\n8 2 4 14\ndirect\n0.929472 0.856952 0.213537 Li\n0.200927 0.426037 0.365309 Li\n0.492605 0.005989 0.506130 Li\n0.776523 0.560720 0.639372 Li\n0.080550 0.145932 0.787350 Li\n0.357130 0.708783 0.926886 Li\n0.657645 0.292434 0.067663 Li\n0.161751 0.294990 0.570246 Li\n0.987231 0.995714 0.997465 Mn\n0.567632 0.148365 0.296451 Mn\n0.289086 0.570992 0.142725 Co\n0.862345 0.714800 0.429135 Co\n0.432190 0.856082 0.710886 Co\n0.713724 0.422155 0.845900 Co\n0.424389 0.936859 0.109961 O\n0.766060 0.512189 0.251844 O\n0.048524 0.081534 0.382947 O\n0.342685 0.656514 0.537374 O\n0.616969 0.233883 0.699361 O\n0.867150 0.793399 0.815988 O\n0.154639 0.368585 0.968541 O\n0.386658 0.775030 0.317688 O\n0.676114 0.345056 0.451936 O\n0.995265 0.921202 0.604364 O\n0.275261 0.494839 0.760095 O\n0.555552 0.059491 0.888722 O\n0.806992 0.622401 0.026534 O\n0.074932 0.199072 0.185593 O\n",
"nsites": 28,
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"elements": [
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],
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"volume": 251.67428463063112,
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"formula_full": "Li8 Mn2 Co4 O14",
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"updated_at": "2021-11-28T01:34:59.784000Z",
"spacegroup": 1
},
{
"id": "mp-771154",
"created_at": "2022-09-04T14:40:25.930457Z",
"structure_string": "Na12 V4 Si4 B4 O28\n1.0\n0.066861 0.000070 5.343615\n8.920805 6.625553 0.142815\n-8.921006 6.625817 -0.142640\nNa V Si B O\n12 4 4 4 28\ndirect\n0.764851 0.167386 0.082542 Na\n0.764734 0.667534 0.582535 Na\n0.235168 0.832608 0.917450 Na\n0.235305 0.332454 0.417524 Na\n0.253992 0.128745 0.875564 Na\n0.253607 0.628669 0.375448 Na\n0.253749 0.374527 0.121243 Na\n0.253946 0.874443 0.621380 Na\n0.746104 0.625494 0.878816 Na\n0.746033 0.125526 0.378663 Na\n0.745928 0.871188 0.124452 Na\n0.746179 0.371330 0.624555 Na\n0.788472 0.044073 0.705820 V\n0.211521 0.955853 0.294099 V\n0.788644 0.544119 0.205825 V\n0.211350 0.455874 0.794167 V\n0.722564 0.338490 0.911475 Si\n0.722755 0.838600 0.411386 Si\n0.277468 0.661525 0.088479 Si\n0.277218 0.161389 0.588594 Si\n0.733314 0.407805 0.342313 B\n0.733134 0.907725 0.842194 B\n0.266735 0.592178 0.657704 B\n0.266905 0.092298 0.157823 B\n0.318889 0.165342 0.084827 O\n0.318910 0.665172 0.584675 O\n0.681123 0.834698 0.915208 O\n0.681062 0.334798 0.415324 O\n0.969772 0.439078 0.311013 O\n0.969284 0.939052 0.810864 O\n0.030364 0.560910 0.689025 O\n0.030754 0.060939 0.189129 O\n0.544635 0.466462 0.283652 O\n0.544003 0.966323 0.783633 O\n0.455549 0.533572 0.716358 O\n0.456030 0.033680 0.216380 O\n0.426299 0.366394 0.883638 O\n0.426417 0.866483 0.383487 O\n0.573678 0.633699 0.116374 O\n0.573594 0.133512 0.616504 O\n0.106175 0.585711 0.164278 O\n0.106212 0.085465 0.664452 O\n0.893775 0.414312 0.835623 O\n0.893742 0.914516 0.335542 O\n0.790009 0.187728 0.865188 O\n0.790314 0.687884 0.365110 O\n0.790272 0.384829 0.062214 O\n0.790050 0.884843 0.562178 O\n0.209836 0.615204 0.937771 O\n0.209926 0.115146 0.437805 O\n0.209933 0.812281 0.134793 O\n0.209715 0.312132 0.634903 O\n",
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],
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"density": 2.8480315927308166,
"density_atomic": 0.0823351750576527,
"volume": 631.5648198183654,
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"formula_full": "Na12 V4 Si4 B4 O28",
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"updated_at": "2021-11-28T01:34:52.462000Z",
"spacegroup": 11
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{
"id": "mp-725219",
"created_at": "2022-09-04T14:40:25.923882Z",
"structure_string": "Sb2 N4 F10\n1.0\n3.273862 -7.687243 0.000000\n3.273862 7.687243 0.000000\n0.000000 0.000000 6.858876\nSb N F\n2 4 10\ndirect\n0.874444 0.125556 0.750000 Sb\n0.125556 0.874444 0.250000 Sb\n0.441214 0.558786 0.250000 N\n0.558786 0.441214 0.750000 N\n0.245413 0.754587 0.750000 N\n0.754587 0.245413 0.250000 N\n0.752794 0.247206 0.750000 F\n0.247206 0.752794 0.250000 F\n0.700345 0.899283 0.940820 F\n0.899283 0.700345 0.059180 F\n0.700345 0.899283 0.559180 F\n0.899283 0.700345 0.440820 F\n0.299655 0.100717 0.059180 F\n0.100717 0.299655 0.940820 F\n0.299655 0.100717 0.440820 F\n0.100717 0.299655 0.559180 F\n",
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"density_atomic": 0.04634533831752395,
"volume": 345.23429067190847,
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"formula_full": "Sb2 N4 F10",
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"spacegroup": 63
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{
"id": "mp-1253743",
"created_at": "2022-09-04T14:40:25.920976Z",
"structure_string": "Ca4 Ti2 Al2 O10\n1.0\n-2.715040 2.859934 7.249263\n2.715040 -2.859934 7.249263\n2.715040 2.859934 -7.249263\nCa Ti Al O\n4 2 2 10\ndirect\n0.423175 0.899568 0.543600 Ca\n0.144032 0.620425 0.543600 Ca\n0.576825 0.120425 0.476394 Ca\n0.855968 0.399568 0.476394 Ca\n0.500000 0.497836 0.997836 Ti\n0.000000 0.997836 0.997836 Ti\n0.826649 0.788101 0.114750 Al\n0.173351 0.288101 0.961452 Al\n0.899430 0.116460 0.515889 O\n0.100570 0.616460 0.217030 O\n0.424667 0.324191 0.043450 O\n0.575333 0.618783 0.899524 O\n0.780742 0.824191 0.899524 O\n0.219258 0.118783 0.043450 O\n0.769259 0.266849 0.010216 O\n0.230741 0.240957 0.497590 O\n0.243367 0.740957 0.010216 O\n0.756633 0.766849 0.497590 O\n",
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"formula_full": "Ca4 Ti2 Al2 O10",
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{
"id": "mp-1197796",
"created_at": "2022-09-04T14:40:25.916823Z",
"structure_string": "K4 Ca4 Co4 C24 S24 O40\n1.0\n11.521794 0.000000 0.000000\n0.000000 12.602243 0.000000\n0.000000 0.000000 13.334509\nK Ca Co C S O\n4 4 4 24 24 40\ndirect\n0.584130 0.935705 0.220757 K\n0.084130 0.564295 0.779243 K\n0.415870 0.435705 0.279243 K\n0.915870 0.064295 0.720757 K\n0.714894 0.942678 0.954181 Ca\n0.214894 0.557322 0.045819 Ca\n0.285106 0.442678 0.545819 Ca\n0.785106 0.057322 0.454181 Ca\n0.285766 0.926849 0.485231 Co\n0.785766 0.573151 0.514769 Co\n0.714234 0.426849 0.014769 Co\n0.214234 0.073151 0.985231 Co\n0.513794 0.057546 0.437523 C\n0.013794 0.442454 0.562477 C\n0.486206 0.557546 0.062477 C\n0.986206 0.942454 0.937523 C\n0.054297 0.062768 0.493791 C\n0.554297 0.437232 0.506209 C\n0.945703 0.562768 0.006209 C\n0.445703 0.937232 0.993791 C\n0.536368 0.010110 0.541512 C\n0.036368 0.489890 0.458488 C\n0.463632 0.510110 0.958488 C\n0.963632 0.989890 0.041512 C\n0.038861 0.993256 0.400570 C\n0.538861 0.506744 0.599430 C\n0.961139 0.493256 0.099430 C\n0.461139 0.006744 0.900570 C\n0.327465 0.676806 0.469757 C\n0.827465 0.823194 0.530243 C\n0.672535 0.176806 0.030243 C\n0.172535 0.323194 0.969757 C\n0.246334 0.689543 0.559523 C\n0.746334 0.810457 0.440477 C\n0.753666 0.189543 0.940477 C\n0.253666 0.310457 0.059523 C\n0.382297 0.037214 0.381914 S\n0.882297 0.462786 0.618086 S\n0.617703 0.537214 0.118086 S\n0.117703 0.962786 0.881914 S\n0.182758 0.059375 0.556633 S\n0.682758 0.440625 0.443367 S\n0.817242 0.559375 0.943367 S\n0.317242 0.940625 0.056633 S\n0.426550 0.945973 0.601482 S\n0.926550 0.554027 0.398518 S\n0.573450 0.445973 0.898518 S\n0.073450 0.054027 0.101482 S\n0.148104 0.909793 0.366778 S\n0.648104 0.590207 0.633222 S\n0.851896 0.409793 0.133222 S\n0.351896 0.090207 0.866778 S\n0.376926 0.788906 0.412616 S\n0.876926 0.711094 0.587384 S\n0.623074 0.288906 0.087384 S\n0.123074 0.211094 0.912616 S\n0.198350 0.812513 0.589948 S\n0.698350 0.687487 0.410052 S\n0.801650 0.312513 0.910052 S\n0.301650 0.187487 0.089948 S\n0.596085 0.107103 0.396098 O\n0.096085 0.392897 0.603902 O\n0.403915 0.607103 0.103902 O\n0.903915 0.892897 0.896098 O\n0.968371 0.118873 0.520601 O\n0.468371 0.381127 0.479399 O\n0.031629 0.618873 0.979399 O\n0.531629 0.881127 0.020601 O\n0.637179 0.020378 0.576010 O\n0.137179 0.479622 0.423990 O\n0.362821 0.520378 0.923990 O\n0.862821 0.979622 0.076010 O\n0.943883 0.999907 0.355039 O\n0.443883 0.500093 0.644961 O\n0.056117 0.499907 0.144961 O\n0.556117 0.000093 0.855039 O\n0.355199 0.584247 0.443039 O\n0.855199 0.915753 0.556961 O\n0.644801 0.084247 0.056961 O\n0.144801 0.415753 0.943039 O\n0.216652 0.606741 0.607001 O\n0.716652 0.893259 0.392999 O\n0.783348 0.106741 0.892999 O\n0.283348 0.393259 0.107001 O\n0.381345 0.727677 0.824432 O\n0.881345 0.772323 0.175568 O\n0.618655 0.227677 0.675568 O\n0.118655 0.272323 0.324432 O\n0.646817 0.773624 0.825978 O\n0.146817 0.726376 0.174022 O\n0.353183 0.273624 0.674022 O\n0.853183 0.226376 0.325978 O\n0.289329 0.720828 0.870982 O\n0.789329 0.779172 0.129018 O\n0.710671 0.220828 0.629018 O\n0.210671 0.279172 0.370982 O\n0.699189 0.828014 0.763315 O\n0.199189 0.671986 0.236685 O\n0.300811 0.328014 0.736685 O\n0.800811 0.171986 0.263315 O\n",
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"elements": [
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"formula_full": "K4 Ca4 Co4 C24 S24 O40",
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