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{
"id": "mp-1177570",
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"structure_string": "Li12 V8 P12 O48\n1.0\n4.426370 8.034617 0.000000\n-4.426370 8.034617 0.000000\n0.000000 7.994238 14.524190\nLi V P O\n12 8 12 48\ndirect\n0.471372 0.759284 0.850434 Li\n0.086982 0.247033 0.444773 Li\n0.631562 0.368438 0.750000 Li\n0.752967 0.913018 0.055227 Li\n0.240716 0.528628 0.649566 Li\n0.000000 0.500000 0.000000 Li\n0.759284 0.471372 0.350434 Li\n0.247033 0.086982 0.944773 Li\n0.368438 0.631562 0.250000 Li\n0.913018 0.752967 0.555227 Li\n0.528628 0.240716 0.149566 Li\n0.500000 0.000000 0.500000 Li\n0.209278 0.709801 0.032694 V\n0.844428 0.804014 0.336963 V\n0.195986 0.155572 0.163037 V\n0.290199 0.790722 0.467306 V\n0.709801 0.209278 0.532694 V\n0.804014 0.844428 0.836963 V\n0.155572 0.195986 0.663037 V\n0.790722 0.290199 0.967306 V\n0.027767 0.962199 0.873377 P\n0.026017 0.562052 0.189458 P\n0.657734 0.597356 0.529419 P\n0.402644 0.342266 0.970581 P\n0.437948 0.973983 0.310542 P\n0.037801 0.972233 0.626623 P\n0.962199 0.027767 0.373377 P\n0.562052 0.026017 0.689458 P\n0.597356 0.657734 0.029419 P\n0.342266 0.402644 0.470581 P\n0.973983 0.437948 0.810542 P\n0.972233 0.037801 0.126623 P\n0.599766 0.914116 0.786431 O\n0.716471 0.946618 0.608882 O\n0.810734 0.999189 0.373548 O\n0.133920 0.945467 0.052231 O\n0.463767 0.691543 0.981648 O\n0.979785 0.891076 0.217025 O\n0.207030 0.874072 0.898341 O\n0.219430 0.547210 0.161381 O\n0.802306 0.673255 0.470507 O\n0.610049 0.972068 0.304623 O\n0.665994 0.516050 0.628998 O\n0.914116 0.599766 0.286431 O\n0.236379 0.523522 0.984811 O\n0.946618 0.716471 0.108882 O\n0.476478 0.763621 0.515189 O\n0.999189 0.810734 0.873548 O\n0.483950 0.334006 0.871002 O\n0.945467 0.133920 0.552231 O\n0.027932 0.389951 0.195377 O\n0.691543 0.463767 0.481648 O\n0.891076 0.979785 0.717025 O\n0.326745 0.197694 0.029493 O\n0.125928 0.792970 0.601659 O\n0.452790 0.780570 0.338619 O\n0.547210 0.219430 0.661381 O\n0.874072 0.207030 0.398341 O\n0.673255 0.802306 0.970507 O\n0.108924 0.020215 0.282975 O\n0.308457 0.536233 0.518352 O\n0.972068 0.610049 0.804623 O\n0.054533 0.866080 0.447769 O\n0.516050 0.665994 0.128998 O\n0.000811 0.189266 0.126452 O\n0.523522 0.236379 0.484811 O\n0.053382 0.283529 0.891118 O\n0.763621 0.476478 0.015189 O\n0.085884 0.400234 0.713569 O\n0.334006 0.483950 0.371002 O\n0.389951 0.027932 0.695377 O\n0.197694 0.326745 0.529493 O\n0.780570 0.452790 0.838619 O\n0.792970 0.125928 0.101659 O\n0.020215 0.108924 0.782975 O\n0.536233 0.308457 0.018352 O\n0.866080 0.054533 0.947769 O\n0.189266 0.000811 0.626452 O\n0.283529 0.053382 0.391118 O\n0.400234 0.085884 0.213569 O\n",
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"elements": [
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"formula_full": "Li12 V8 P12 O48",
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{
"id": "mp-1214721",
"created_at": "2022-09-04T14:46:24.541576Z",
"structure_string": "Ba4 Te4 H12 S16 O24\n1.0\n5.364452 0.000000 0.000000\n0.000000 11.036839 0.000000\n0.000000 4.490810 21.068958\nBa Te H S O\n4 4 12 16 24\ndirect\n0.669820 0.143313 0.089571 Ba\n0.330180 0.856687 0.910429 Ba\n0.169820 0.856687 0.410429 Ba\n0.830180 0.143313 0.589571 Ba\n0.987223 0.598665 0.187908 Te\n0.012777 0.401335 0.812092 Te\n0.487223 0.401335 0.312092 Te\n0.512777 0.598665 0.687908 Te\n0.706003 0.416485 0.029399 H\n0.293997 0.583515 0.970601 H\n0.206003 0.583515 0.470601 H\n0.793997 0.416485 0.529399 H\n0.359478 0.914712 0.149629 H\n0.640522 0.085288 0.850371 H\n0.859478 0.085288 0.350371 H\n0.140522 0.914712 0.649629 H\n0.897652 0.982366 0.214522 H\n0.102348 0.017634 0.785478 H\n0.397652 0.017634 0.285478 H\n0.602348 0.982366 0.714522 H\n0.594847 0.718843 0.318908 S\n0.405153 0.281157 0.681092 S\n0.094847 0.281157 0.181092 S\n0.905153 0.718843 0.818908 S\n0.701121 0.666835 0.102117 S\n0.298879 0.333165 0.897883 S\n0.201121 0.333165 0.397883 S\n0.798879 0.666835 0.602117 S\n0.732887 0.539005 0.361347 S\n0.267113 0.460995 0.638653 S\n0.232887 0.460995 0.138653 S\n0.767113 0.539005 0.861347 S\n0.870484 0.827341 0.046074 S\n0.129516 0.172659 0.953926 S\n0.370484 0.172659 0.453926 S\n0.629516 0.827341 0.546074 S\n0.821516 0.281574 0.172330 O\n0.178484 0.718426 0.827670 O\n0.321516 0.718426 0.327670 O\n0.678484 0.281574 0.672330 O\n0.376596 0.796277 0.528418 O\n0.623404 0.203723 0.471582 O\n0.876596 0.203723 0.971582 O\n0.123404 0.796277 0.028418 O\n0.869643 0.925047 0.083200 O\n0.130357 0.074953 0.916800 O\n0.369643 0.074953 0.416800 O\n0.630357 0.925047 0.583200 O\n0.716118 0.796879 0.358903 O\n0.283882 0.203121 0.641097 O\n0.216118 0.203121 0.141097 O\n0.783882 0.796879 0.858903 O\n0.798872 0.854737 0.491140 O\n0.201128 0.145263 0.508860 O\n0.298872 0.145263 0.008860 O\n0.701128 0.854737 0.991140 O\n0.671074 0.747892 0.252581 O\n0.328926 0.252108 0.747419 O\n0.171074 0.252108 0.247419 O\n0.828926 0.747892 0.752581 O\n",
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"volume": 1247.4212222351387,
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"formula_full": "Ba4 Te4 H12 S16 O24",
"formula_reduced": "BaTeH3(S2O3)2",
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"updated_at": "2021-11-28T01:37:34.679000Z",
"spacegroup": 14
},
{
"id": "mp-1223735",
"created_at": "2022-09-04T14:45:54.197363Z",
"structure_string": "K2 Al6 Si6 O24\n1.0\n4.611330 2.648623 0.000000\n-4.611330 2.648623 0.000000\n0.000000 1.856350 20.557684\nK Al Si O\n2 6 6 24\ndirect\n0.108670 0.907527 0.738672 K\n0.907527 0.108670 0.238672 K\n0.813437 0.631566 0.502909 Al\n0.373440 0.178767 0.002700 Al\n0.178767 0.373440 0.502700 Al\n0.631566 0.813437 0.002909 Al\n0.802904 0.285307 0.634800 Al\n0.285307 0.802904 0.134800 Al\n0.708171 0.189348 0.867321 Si\n0.189348 0.708171 0.367321 Si\n0.397549 0.532111 0.867962 Si\n0.459747 0.596572 0.636956 Si\n0.596572 0.459747 0.136956 Si\n0.532111 0.397549 0.367962 Si\n0.013293 0.938654 0.964965 O\n0.082456 0.994428 0.528978 O\n0.994428 0.082456 0.028978 O\n0.938654 0.013293 0.464965 O\n0.060738 0.397190 0.846637 O\n0.537978 0.920713 0.655146 O\n0.920713 0.537978 0.155146 O\n0.397190 0.060738 0.346637 O\n0.888282 0.388521 0.550999 O\n0.622848 0.125576 0.944540 O\n0.125576 0.622848 0.444540 O\n0.388521 0.888282 0.050999 O\n0.130196 0.362160 0.668165 O\n0.587389 0.872708 0.834707 O\n0.872708 0.587389 0.334707 O\n0.362160 0.130196 0.168165 O\n0.430340 0.523692 0.945571 O\n0.481344 0.573580 0.556056 O\n0.573580 0.481344 0.056056 O\n0.523692 0.430340 0.445571 O\n0.684430 0.509759 0.668358 O\n0.539556 0.349052 0.834558 O\n0.349052 0.539556 0.334558 O\n0.509759 0.684430 0.168358 O\n",
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"elements": [
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"formula_full": "K2 Al6 Si6 O24",
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{
"id": "mp-768061",
"created_at": "2022-09-04T14:39:59.540674Z",
"structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.243646 0.000000 0.000000\n0.000000 10.300846 0.000000\n0.000000 4.973225 9.177794\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.970113 0.759129 0.993855 Na\n0.529887 0.759129 0.493855 Na\n0.029887 0.240871 0.006145 Na\n0.470113 0.240871 0.506145 Na\n0.252370 0.658300 0.812207 Mn\n0.247630 0.658300 0.312207 Mn\n0.747630 0.341700 0.187793 Mn\n0.752370 0.341700 0.687793 Mn\n0.749764 0.567136 0.825563 P\n0.750236 0.567136 0.325563 P\n0.250236 0.432864 0.174437 P\n0.249764 0.432864 0.674437 P\n0.240781 0.923238 0.653085 C\n0.259219 0.923238 0.153085 C\n0.759219 0.076762 0.346915 C\n0.740781 0.076762 0.846915 C\n0.763441 0.942583 0.429226 O\n0.736559 0.942583 0.929226 O\n0.240094 0.858666 0.797231 O\n0.259906 0.858666 0.297231 O\n0.248813 0.821426 0.608929 O\n0.251187 0.821426 0.108929 O\n0.943354 0.667306 0.813124 O\n0.557558 0.671916 0.799684 O\n0.942442 0.671916 0.299684 O\n0.556646 0.667306 0.313124 O\n0.749181 0.524384 0.201227 O\n0.251157 0.574154 0.026946 O\n0.750819 0.524384 0.701227 O\n0.248843 0.574154 0.526946 O\n0.748843 0.425846 0.973054 O\n0.250819 0.475616 0.798773 O\n0.751157 0.425846 0.473054 O\n0.249181 0.475616 0.298773 O\n0.442442 0.328084 0.200316 O\n0.056646 0.332694 0.186876 O\n0.443354 0.332694 0.686876 O\n0.057558 0.328084 0.700316 O\n0.751187 0.178574 0.391071 O\n0.748813 0.178574 0.891071 O\n0.759906 0.141334 0.202769 O\n0.740094 0.141334 0.702769 O\n0.236559 0.057417 0.570774 O\n0.263441 0.057417 0.070774 O\n",
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{
"id": "mp-1201169",
"created_at": "2022-09-04T14:43:15.752867Z",
"structure_string": "P16 Se12 Br8\n1.0\n8.125730 6.892200 0.000000\n-8.125730 6.892200 0.000000\n0.000000 6.269872 11.778464\nP Se Br\n16 12 8\ndirect\n0.309861 0.857020 0.078317 P\n0.142980 0.690139 0.421683 P\n0.690139 0.142980 0.921683 P\n0.857020 0.309861 0.578317 P\n0.001014 0.721713 0.331116 P\n0.278287 0.998986 0.168884 P\n0.998986 0.278287 0.668884 P\n0.721713 0.001014 0.831116 P\n0.644882 0.593300 0.086194 P\n0.406700 0.355118 0.413806 P\n0.355118 0.406700 0.913806 P\n0.593300 0.644882 0.586194 P\n0.631757 0.406006 0.366783 P\n0.593994 0.368243 0.133217 P\n0.368243 0.593994 0.633217 P\n0.406006 0.631757 0.866783 P\n0.131072 0.661957 0.191490 Se\n0.338043 0.868928 0.308510 Se\n0.868928 0.338043 0.808510 Se\n0.661957 0.131072 0.691490 Se\n0.047842 0.952158 0.250000 Se\n0.952158 0.047842 0.750000 Se\n0.661124 0.622935 0.246499 Se\n0.377065 0.338876 0.253501 Se\n0.338876 0.377065 0.753501 Se\n0.622935 0.661124 0.746499 Se\n0.705083 0.294917 0.250000 Se\n0.294917 0.705083 0.750000 Se\n0.239832 0.957807 0.935130 Br\n0.042193 0.760168 0.564870 Br\n0.760168 0.042193 0.064870 Br\n0.957807 0.239832 0.435130 Br\n0.869148 0.649192 0.969886 Br\n0.350808 0.130852 0.530114 Br\n0.130852 0.350808 0.030114 Br\n0.649192 0.869148 0.469886 Br\n",
"nsites": 36,
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],
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"formula_full": "P16 Se12 Br8",
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{
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"created_at": "2022-09-04T14:48:01.683559Z",
"structure_string": "Al18 B6 C18\n1.0\n2.966757 -5.138574 0.000000\n2.966757 5.138574 0.000000\n0.000000 0.000000 15.931343\nAl B C\n18 6 18\ndirect\n0.677874 0.000000 0.121820 Al\n0.000000 0.677874 0.121820 Al\n0.322126 0.322126 0.121820 Al\n0.677874 0.677874 0.621820 Al\n0.322126 0.000000 0.621820 Al\n0.000000 0.322126 0.621820 Al\n0.000000 0.345394 0.876881 Al\n0.654606 0.654606 0.876881 Al\n0.345394 0.000000 0.876881 Al\n0.000000 0.654606 0.376881 Al\n0.345394 0.345394 0.376881 Al\n0.654606 0.000000 0.376881 Al\n0.333333 0.666667 0.742928 Al\n0.333333 0.666667 0.242928 Al\n0.666667 0.333333 0.742928 Al\n0.666667 0.333333 0.242928 Al\n0.000000 0.000000 0.264474 Al\n0.000000 0.000000 0.764474 Al\n0.000000 0.000000 0.491074 B\n0.000000 0.000000 0.991074 B\n0.666667 0.333333 0.506338 B\n0.666667 0.333333 0.006338 B\n0.333333 0.666667 0.506338 B\n0.333333 0.666667 0.006338 B\n0.000000 0.000000 0.400939 C\n0.000000 0.000000 0.900939 C\n0.666667 0.333333 0.596571 C\n0.666667 0.333333 0.096571 C\n0.000000 0.666966 0.249323 C\n0.333034 0.333034 0.249323 C\n0.666966 0.000000 0.249323 C\n0.000000 0.333034 0.749323 C\n0.666966 0.666966 0.749323 C\n0.333034 0.000000 0.749323 C\n0.000000 0.000000 0.581698 C\n0.000000 0.000000 0.081698 C\n0.666667 0.333333 0.415610 C\n0.666667 0.333333 0.915610 C\n0.333333 0.666667 0.596571 C\n0.333333 0.666667 0.096571 C\n0.333333 0.666667 0.415610 C\n0.333333 0.666667 0.915610 C\n",
"nsites": 42,
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{
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