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{
"id": "mp-1352636",
"created_at": "2022-09-04T14:44:05.130938Z",
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{
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"created_at": "2022-09-04T14:40:59.377498Z",
"structure_string": "Li6 Mo4 P6 O24\n1.0\n8.131334 -4.301924 0.000000\n8.131334 4.301924 0.000000\n5.855379 0.000000 7.095047\nLi Mo P O\n6 4 6 24\ndirect\n0.733279 0.075841 0.334821 Li\n0.075841 0.334821 0.733279 Li\n0.334821 0.733279 0.075841 Li\n0.665179 0.266721 0.924159 Li\n0.924159 0.665179 0.266721 Li\n0.266721 0.924159 0.665179 Li\n0.347784 0.347784 0.347784 Mo\n0.854754 0.854754 0.854754 Mo\n0.145246 0.145246 0.145246 Mo\n0.652216 0.652216 0.652216 Mo\n0.544927 0.959115 0.249307 P\n0.750693 0.455073 0.040885 P\n0.959115 0.249307 0.544927 P\n0.040885 0.750693 0.455073 P\n0.455073 0.040885 0.750693 P\n0.249307 0.544927 0.959115 P\n0.552960 0.148337 0.207006 O\n0.746522 0.855471 0.133365 O\n0.503097 0.840846 0.463561 O\n0.207006 0.552960 0.148337 O\n0.447040 0.851663 0.792994 O\n0.253478 0.144529 0.866635 O\n0.496903 0.159154 0.536439 O\n0.792994 0.447040 0.851663 O\n0.190204 0.397390 0.002005 O\n0.851663 0.792994 0.447040 O\n0.602610 0.997995 0.809796 O\n0.866635 0.253478 0.144529 O\n0.159154 0.536439 0.496903 O\n0.144529 0.866635 0.253478 O\n0.463561 0.503097 0.840846 O\n0.997995 0.809796 0.602610 O\n0.002005 0.190204 0.397390 O\n0.536439 0.496903 0.159154 O\n0.855471 0.133365 0.746522 O\n0.840846 0.463561 0.503097 O\n0.133365 0.746522 0.855471 O\n0.397390 0.002005 0.190204 O\n0.148337 0.207006 0.552960 O\n0.809796 0.602610 0.997995 O\n",
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"elements": [
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"formula_full": "Li6 Mo4 P6 O24",
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{
"id": "mp-1291385",
"created_at": "2022-09-04T14:41:20.672979Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n2.816501 0.162346 0.675503\n-2.010427 7.589917 5.859326\n-0.928610 -7.782790 6.451950\nLi Mn Co O\n10 4 2 16\ndirect\n0.999999 0.499999 0.249998 Li\n0.499993 0.999994 0.750000 Li\n0.002820 0.240737 0.866220 Li\n0.502546 0.740791 0.366324 Li\n0.497444 0.259209 0.133673 Li\n0.997168 0.759262 0.633781 Li\n0.484518 0.760918 0.870339 Li\n0.984226 0.260940 0.370221 Li\n0.015773 0.739062 0.129780 Li\n0.515468 0.239078 0.629657 Li\n0.991024 0.998674 0.991209 Mn\n0.008966 0.001327 0.508798 Mn\n0.490363 0.498717 0.491246 Mn\n0.509663 0.501285 0.008752 Mn\n0.999997 0.499995 0.749998 Co\n0.499991 0.999988 0.250000 Co\n0.498016 0.113153 0.947591 O\n0.997371 0.613122 0.447602 O\n0.002650 0.386880 0.052394 O\n0.501982 0.886855 0.552407 O\n0.020143 0.607526 0.943153 O\n0.519470 0.107545 0.443104 O\n0.480526 0.892458 0.056902 O\n0.979872 0.392473 0.556843 O\n0.507122 0.617372 0.173127 O\n0.006575 0.117548 0.673214 O\n0.492894 0.382628 0.326873 O\n0.993413 0.882468 0.826811 O\n0.477578 0.612259 0.685053 O\n0.977826 0.112292 0.185037 O\n0.522426 0.387735 0.814940 O\n0.022177 0.887711 0.314955 O\n",
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],
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"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
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"energy": -213.51302571,
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{
"id": "mp-540416",
"created_at": "2022-09-04T14:43:56.756082Z",
"structure_string": "Mn4 P8 O28\n1.0\n5.016018 0.000000 0.000000\n0.000000 8.490965 0.000000\n0.000000 5.754821 11.932279\nMn P O\n4 8 28\ndirect\n0.252267 0.732449 0.528540 Mn\n0.752267 0.267551 0.971460 Mn\n0.247733 0.732449 0.028540 Mn\n0.747733 0.267551 0.471460 Mn\n0.742580 0.835467 0.635098 P\n0.260414 0.314253 0.114811 P\n0.242580 0.164533 0.864902 P\n0.239586 0.314253 0.614811 P\n0.760414 0.685747 0.385189 P\n0.757420 0.835467 0.135098 P\n0.739586 0.685747 0.885189 P\n0.257420 0.164533 0.364902 P\n0.452973 0.773165 0.639010 O\n0.943612 0.710502 0.620362 O\n0.818933 0.512053 0.884680 O\n0.553449 0.310446 0.082373 O\n0.220104 0.170992 0.242558 O\n0.199557 0.976700 0.445879 O\n0.078015 0.245714 0.050976 O\n0.318933 0.487947 0.615320 O\n0.443612 0.289498 0.879638 O\n0.952973 0.226835 0.860990 O\n0.578015 0.754286 0.449024 O\n0.699557 0.023300 0.054121 O\n0.720104 0.829008 0.257442 O\n0.946551 0.310446 0.582373 O\n0.053449 0.689554 0.417627 O\n0.279896 0.170992 0.742558 O\n0.300443 0.976700 0.945879 O\n0.421985 0.245714 0.550976 O\n0.047027 0.773165 0.139010 O\n0.556388 0.710502 0.120362 O\n0.681067 0.512053 0.384680 O\n0.921985 0.754286 0.949024 O\n0.800443 0.023300 0.554121 O\n0.779896 0.829008 0.757442 O\n0.446551 0.689554 0.917627 O\n0.181067 0.487947 0.115320 O\n0.056388 0.289498 0.379638 O\n0.547027 0.226835 0.360990 O\n",
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"volume": 508.20570550806315,
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"formula_full": "Mn4 P8 O28",
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"energy": -313.48257208,
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{
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"structure_string": "Ca4 Fe2 Mo2 O12\n1.0\n5.597192 0.000000 0.000000\n0.000000 5.457611 0.000000\n0.000000 5.384703 7.829265\nCa Fe Mo O\n4 2 2 12\ndirect\n0.947745 0.265947 0.245788 Ca\n0.447745 0.734053 0.254212 Ca\n0.052255 0.734053 0.754212 Ca\n0.552255 0.265947 0.745788 Ca\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Mo\n0.500000 0.000000 0.500000 Mo\n0.705500 0.349033 0.451318 O\n0.205500 0.650967 0.048682 O\n0.294500 0.650967 0.548682 O\n0.794500 0.349033 0.951318 O\n0.785346 0.759508 0.548182 O\n0.285346 0.240492 0.951818 O\n0.214654 0.240492 0.451818 O\n0.714654 0.759508 0.048182 O\n0.529340 0.159909 0.248106 O\n0.029340 0.840091 0.251894 O\n0.970660 0.159909 0.748106 O\n0.470660 0.840091 0.751894 O\n",
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"formula_full": "Ca4 Fe2 Mo2 O12",
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{
"id": "mp-1044745",
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"structure_string": "Ba1 Ca1 Mo4 O8\n1.0\n2.920190 -5.057917 0.000000\n2.920190 5.057917 0.000000\n0.000000 0.000000 7.579887\nBa Ca Mo O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Ca\n0.333333 0.666667 0.730211 Mo\n0.666667 0.333333 0.730211 Mo\n0.333333 0.666667 0.269789 Mo\n0.666667 0.333333 0.269789 Mo\n0.304850 0.304850 0.701005 O\n0.695150 0.000000 0.701005 O\n0.000000 0.695150 0.701005 O\n0.695150 0.695150 0.298995 O\n0.000000 0.304850 0.298995 O\n0.304850 0.000000 0.298995 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:48:25.539856Z",
"structure_string": "Mn4 Ni2 O12\n1.0\n2.503832 -4.340940 0.000000\n2.503832 4.340940 0.000000\n0.000000 0.000000 10.013213\nMn Ni O\n4 2 12\ndirect\n0.333386 0.666614 0.000000 Mn\n0.166614 0.833386 0.500000 Mn\n0.666614 0.333386 0.000000 Mn\n0.833386 0.166614 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.500182 0.172558 0.595546 O\n0.499818 0.827442 0.404454 O\n0.999818 0.327442 0.095546 O\n0.672558 0.000182 0.904454 O\n0.327561 0.327561 0.904542 O\n0.172439 0.172439 0.404542 O\n0.172558 0.500182 0.595546 O\n0.827442 0.499818 0.404454 O\n0.327442 0.999818 0.095546 O\n0.672439 0.672439 0.095458 O\n0.827561 0.827561 0.595458 O\n0.000182 0.672558 0.904454 O\n",
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"formula_full": "Mn4 Ni2 O12",
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{
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{
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