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{
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"structure_string": "Li1 Si3\n1.0\n-1.874649 1.874649 4.024951\n1.874649 -1.874649 4.024951\n1.874649 1.874649 -4.024951\nLi Si\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Si\n0.250000 0.750000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
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{
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},
{
"id": "mp-753442",
"created_at": "2022-09-04T14:48:27.903562Z",
"structure_string": "Cr4 Co4 O16\n1.0\n4.951287 0.000000 0.000000\n0.000000 6.083637 0.000000\n0.000000 0.000000 10.463660\nCr Co O\n4 4 16\ndirect\n0.407952 0.750000 0.405811 Cr\n0.092048 0.750000 0.905811 Cr\n0.907952 0.250000 0.094189 Cr\n0.592048 0.250000 0.594189 Cr\n0.973406 0.750000 0.230909 Co\n0.526594 0.750000 0.730909 Co\n0.473406 0.250000 0.269091 Co\n0.026594 0.250000 0.769091 Co\n0.273670 0.530882 0.328252 O\n0.226330 0.530882 0.828252 O\n0.169471 0.750000 0.059672 O\n0.737971 0.750000 0.389091 O\n0.762029 0.750000 0.889091 O\n0.330529 0.750000 0.559672 O\n0.273670 0.969118 0.328252 O\n0.226330 0.969118 0.828252 O\n0.726330 0.030882 0.671748 O\n0.773670 0.030882 0.171748 O\n0.830529 0.250000 0.940328 O\n0.669471 0.250000 0.440328 O\n0.237971 0.250000 0.110909 O\n0.262029 0.250000 0.610909 O\n0.773670 0.469118 0.171748 O\n0.726330 0.469118 0.671748 O\n",
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"elements": [
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"density": 3.6863847709764737,
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"volume": 315.18461689998117,
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"formula_full": "Cr4 Co4 O16",
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"formula_anonymous": "ABC4",
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{
"id": "mp-1213195",
"created_at": "2022-09-04T14:48:27.905036Z",
"structure_string": "Cs4 Sb4 S4 O16 F8\n1.0\n5.467229 0.000000 0.000000\n0.000000 10.137250 0.000000\n0.000000 0.000000 11.694283\nCs Sb S O F\n4 4 4 16 8\ndirect\n0.614201 0.014310 0.160844 Cs\n0.114201 0.985690 0.839156 Cs\n0.614201 0.514310 0.339156 Cs\n0.114201 0.485690 0.660844 Cs\n0.104199 0.327150 0.080598 Sb\n0.604199 0.672850 0.919402 Sb\n0.104199 0.827150 0.419402 Sb\n0.604199 0.172850 0.580598 Sb\n0.163909 0.202926 0.365750 S\n0.663909 0.797074 0.634250 S\n0.163909 0.702926 0.134250 S\n0.663909 0.297074 0.865750 S\n0.011820 0.087390 0.338247 O\n0.511820 0.912610 0.661753 O\n0.011820 0.587390 0.161753 O\n0.511820 0.412610 0.838247 O\n0.399677 0.150933 0.422018 O\n0.899677 0.849067 0.577982 O\n0.399677 0.650933 0.077982 O\n0.899677 0.349067 0.922018 O\n0.255242 0.269491 0.257454 O\n0.755242 0.730509 0.742546 O\n0.255242 0.769491 0.242546 O\n0.755242 0.230509 0.757454 O\n0.039923 0.298582 0.439305 O\n0.539923 0.701418 0.560695 O\n0.039923 0.798582 0.060695 O\n0.539923 0.201418 0.939305 O\n0.079561 0.133672 0.061755 F\n0.579561 0.866328 0.938245 F\n0.079561 0.633672 0.438245 F\n0.579561 0.366328 0.561755 F\n0.283666 0.178289 0.655062 F\n0.783666 0.821711 0.344938 F\n0.283666 0.678289 0.844938 F\n0.783666 0.321711 0.155062 F\n",
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"formula_full": "Cs4 Sb4 S4 O16 F8",
"formula_reduced": "CsSbS(O2F)2",
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"spacegroup": 33
},
{
"id": "mp-753138",
"created_at": "2022-09-04T14:48:27.905411Z",
"structure_string": "Fe4 O2 F6\n1.0\n-0.074755 4.822383 -3.117515\n-4.822832 0.074228 -3.118262\n-0.074248 4.822926 3.118285\nFe O F\n4 2 6\ndirect\n0.253686 0.498703 0.247612 Fe\n0.538535 0.962540 0.498921 Fe\n0.751049 0.501277 0.747677 Fe\n0.963610 0.037455 0.998942 Fe\n0.831182 0.667425 0.501366 O\n0.666163 0.332600 0.001245 O\n0.284666 0.714719 0.000618 F\n0.214161 0.285310 0.500537 F\n0.249324 0.793380 0.544233 F\n0.749162 0.793592 0.044307 F\n0.249327 0.206456 0.957282 F\n0.749134 0.206543 0.457260 F\n",
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],
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"density": 4.230150571248036,
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"volume": 144.9953159232768,
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"formula_full": "Fe4 O2 F6",
"formula_reduced": "Fe2OF3",
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{
"id": "mp-1101055",
"created_at": "2022-09-04T14:48:27.921662Z",
"structure_string": "Ta2 In2 S4\n1.0\n1.678610 -2.907439 0.000000\n1.678610 2.907439 0.000000\n0.000000 0.000000 16.716869\nTa In S\n2 2 4\ndirect\n0.000000 0.000000 0.250000 Ta\n0.000000 0.000000 0.750000 Ta\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.333333 0.666667 0.344255 S\n0.666667 0.333333 0.655745 S\n0.666667 0.333333 0.844255 S\n0.333333 0.666667 0.155745 S\n",
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],
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"density": 7.325050372315883,
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"volume": 163.17189323557974,
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"formula_full": "Ta2 In2 S4",
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{
"id": "mp-1666595",
"created_at": "2022-09-04T14:48:27.922929Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n2.823734 -0.009594 0.565066\n1.725414 22.931629 -1.673018\n-2.702914 0.137048 6.168972\nLi Mn Co O\n14 8 2 24\ndirect\n0.666499 0.416885 0.749168 Li\n0.666820 0.916435 0.250827 Li\n0.666067 0.037983 0.366530 Li\n0.666511 0.539192 0.866447 Li\n0.667255 0.295327 0.633463 Li\n0.666822 0.794134 0.133576 Li\n0.003147 0.125806 0.133015 Li\n0.005555 0.625135 0.633127 Li\n0.330162 0.207509 0.866940 Li\n0.327791 0.708181 0.366902 Li\n0.327578 0.457324 0.112203 Li\n0.327838 0.957606 0.614099 Li\n0.005489 0.375726 0.385923 Li\n0.005747 0.876007 0.887811 Li\n0.011369 0.997335 0.020998 Mn\n0.321980 0.336003 0.979088 Mn\n0.336122 0.582287 0.250114 Mn\n0.997214 0.751038 0.749877 Mn\n0.013309 0.497286 0.518724 Mn\n0.320156 0.836041 0.481423 Mn\n0.335449 0.082332 0.753471 Mn\n0.997808 0.251090 0.246272 Mn\n0.666631 0.166671 0.499958 Co\n0.666661 0.666656 0.000004 Co\n0.507694 0.054524 0.066127 O\n0.508838 0.555052 0.561294 O\n0.825608 0.278817 0.933844 O\n0.824524 0.778272 0.438753 O\n0.838210 0.138797 0.813254 O\n0.837552 0.638963 0.313224 O\n0.495131 0.194564 0.186714 O\n0.495797 0.694359 0.686784 O\n0.173232 0.221220 0.560865 O\n0.131891 0.725292 0.052438 O\n0.160038 0.112114 0.439049 O\n0.201447 0.608034 0.947559 O\n0.152840 0.481116 0.785705 O\n0.152968 0.981210 0.288710 O\n0.180366 0.352117 0.711319 O\n0.180502 0.852202 0.214332 O\n0.836583 0.389192 0.056514 O\n0.834809 0.889155 0.558482 O\n0.498558 0.444176 0.441566 O\n0.496738 0.944146 0.943507 O\n0.491837 0.309484 0.290708 O\n0.483397 0.809596 0.790210 O\n0.841499 0.023889 0.709260 O\n0.849961 0.523725 0.209819 O\n",
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"formula_full": "Li14 Mn8 Co2 O24",
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{
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"structure_string": "Sr1 O10\n1.0\n5.237133 0.000000 0.000000\n0.000000 5.237133 0.000000\n0.000000 0.000000 5.477834\nSr O\n1 10\ndirect\n0.000000 0.000000 0.000000 Sr\n0.354688 0.354688 0.247943 O\n0.645312 0.645312 0.752057 O\n0.645312 0.645312 0.247943 O\n0.645312 0.354688 0.247943 O\n0.645312 0.354688 0.752057 O\n0.354688 0.354688 0.752057 O\n0.354688 0.645312 0.752057 O\n0.354688 0.645312 0.247943 O\n0.000000 0.500000 0.000000 O\n0.500000 0.000000 0.000000 O\n",
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"volume": 150.2436319876744,
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"formula_full": "Sr1 O10",
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{
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