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{
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{
"id": "mp-1181813",
"created_at": "2022-09-04T14:46:04.637398Z",
"structure_string": "Fe24 O32\n1.0\n6.088172 0.000000 0.000000\n0.000000 6.089138 0.000000\n0.000000 0.000000 17.292733\nFe O\n24 32\ndirect\n0.506504 0.000000 0.809959 Fe\n0.245632 0.500000 0.376229 Fe\n0.754459 0.000000 0.624635 Fe\n0.493496 0.000000 0.309959 Fe\n0.998015 0.500000 0.063196 Fe\n0.507311 0.500000 0.685137 Fe\n0.001985 0.500000 0.563196 Fe\n0.500250 0.251054 0.498703 Fe\n0.492689 0.500000 0.185137 Fe\n0.999109 0.000000 0.438294 Fe\n0.008392 0.746561 0.750563 Fe\n0.500250 0.748946 0.498703 Fe\n0.741804 0.500000 0.378040 Fe\n0.741504 0.000000 0.122637 Fe\n0.258196 0.500000 0.878040 Fe\n0.258496 0.000000 0.622637 Fe\n0.754368 0.500000 0.876229 Fe\n0.000891 0.000000 0.938294 Fe\n0.499750 0.251054 0.998703 Fe\n0.499750 0.748946 0.998703 Fe\n0.991608 0.253439 0.250563 Fe\n0.991608 0.746561 0.250563 Fe\n0.245541 0.000000 0.124635 Fe\n0.008392 0.253439 0.750563 Fe\n0.995859 0.262992 0.371421 O\n0.005779 0.774273 0.634484 O\n0.494542 0.734239 0.370894 O\n0.994221 0.774273 0.134484 O\n0.761496 0.000000 0.248381 O\n0.771323 0.500000 0.257817 O\n0.506339 0.780233 0.624919 O\n0.228677 0.500000 0.757817 O\n0.493661 0.219767 0.124919 O\n0.752306 0.000000 0.005029 O\n0.506339 0.219767 0.624919 O\n0.251882 0.000000 0.004739 O\n0.215115 0.500000 0.257849 O\n0.995859 0.737008 0.371421 O\n0.247694 0.000000 0.505029 O\n0.784885 0.500000 0.757849 O\n0.774888 0.000000 0.748333 O\n0.225112 0.000000 0.248333 O\n0.254581 0.500000 0.990041 O\n0.494542 0.265761 0.370894 O\n0.748118 0.000000 0.504739 O\n0.004141 0.262992 0.871421 O\n0.745419 0.500000 0.490041 O\n0.493661 0.780233 0.124919 O\n0.263420 0.500000 0.489519 O\n0.994221 0.225727 0.134484 O\n0.005779 0.225727 0.634484 O\n0.505458 0.265761 0.870894 O\n0.505458 0.734239 0.870894 O\n0.736580 0.500000 0.989519 O\n0.004141 0.737008 0.871421 O\n0.238504 0.000000 0.748381 O\n",
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"elements": [
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"O"
],
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"density": 4.797830125382538,
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"volume": 641.0713467448027,
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"formula_full": "Fe24 O32",
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"updated_at": "2021-11-28T01:37:20.383000Z",
"spacegroup": 26
},
{
"id": "mp-1247692",
"created_at": "2022-09-04T14:46:54.850176Z",
"structure_string": "Sr12 Ca20 Mn32 O88\n1.0\n10.931451 -0.034680 -0.083093\n-0.046609 15.706559 0.003508\n-0.081118 0.001648 10.902846\nSr Ca Mn O\n12 20 32 88\ndirect\n0.000422 0.115311 0.498518 Sr\n0.000414 0.115573 0.998198 Sr\n0.007737 0.626969 0.497542 Sr\n0.499392 0.387922 0.002027 Sr\n0.498340 0.387664 0.502500 Sr\n0.499416 0.862786 0.000923 Sr\n0.239729 0.389284 0.256274 Sr\n0.239247 0.388900 0.754970 Sr\n0.233659 0.871302 0.251973 Sr\n0.232334 0.113748 0.244564 Sr\n0.231159 0.114925 0.747404 Sr\n0.261234 0.628736 0.254182 Sr\n0.014627 0.626957 0.995836 Ca\n0.538953 0.127072 0.485767 Ca\n0.540314 0.126777 0.985978 Ca\n0.519381 0.625128 0.497132 Ca\n0.521148 0.625244 0.998305 Ca\n0.495776 0.855953 0.502037 Ca\n0.965081 0.387491 0.998597 Ca\n0.965599 0.388167 0.495738 Ca\n0.974036 0.871363 0.008891 Ca\n0.971943 0.871358 0.506431 Ca\n0.222843 0.870233 0.749947 Ca\n0.747795 0.394084 0.254500 Ca\n0.746812 0.393403 0.751645 Ca\n0.750130 0.859350 0.254706 Ca\n0.745729 0.859813 0.751371 Ca\n0.269896 0.628588 0.759197 Ca\n0.777291 0.116832 0.249915 Ca\n0.777943 0.117163 0.752486 Ca\n0.763635 0.625853 0.252482 Ca\n0.768430 0.625602 0.754616 Ca\n0.992261 0.991699 0.254124 Mn\n0.990860 0.990019 0.753784 Mn\n-0.000454 0.502455 0.246227 Mn\n0.001409 0.503078 0.749537 Mn\n0.514190 0.984158 0.235610 Mn\n0.510794 0.983248 0.731591 Mn\n0.499804 0.506316 0.250497 Mn\n0.499755 0.507027 0.750106 Mn\n0.241728 0.994302 0.007402 Mn\n0.243494 0.994209 0.513509 Mn\n0.249078 0.507058 0.002071 Mn\n0.248252 0.507955 0.505662 Mn\n0.747939 0.998179 0.996470 Mn\n0.743900 0.997628 0.496516 Mn\n0.749591 0.505131 0.001579 Mn\n0.747731 0.504540 0.502152 Mn\n0.262838 0.240800 0.963977 Mn\n0.263388 0.239059 0.464172 Mn\n0.250594 0.750663 0.999902 Mn\n0.250201 0.751990 0.507840 Mn\n0.752345 0.250905 0.005513 Mn\n0.751448 0.250247 0.506481 Mn\n0.752248 0.747062 0.000911 Mn\n0.748693 0.747652 0.501289 Mn\n0.985155 0.254959 0.259603 Mn\n0.985192 0.256253 0.759564 Mn\n0.000077 0.749063 0.249810 Mn\n0.001638 0.748501 0.752201 Mn\n0.527866 0.258136 0.257895 Mn\n0.527102 0.258597 0.758415 Mn\n0.501585 0.745916 0.253295 Mn\n0.500612 0.745412 0.752038 Mn\n0.107992 0.770703 0.104115 O\n0.107651 0.776004 0.608641 O\n0.585745 0.250375 0.098324 O\n0.584567 0.250340 0.598921 O\n0.617710 0.763331 0.118079 O\n0.611146 0.762003 0.611222 O\n0.404940 0.211442 0.358147 O\n0.405200 0.212483 0.860459 O\n0.397148 0.732102 0.398487 O\n0.397750 0.728041 0.894472 O\n0.898045 0.243423 0.415797 O\n0.899050 0.244048 0.915813 O\n0.884095 0.735156 0.385248 O\n0.892911 0.730519 0.892792 O\n0.147781 0.244177 0.333079 O\n0.147777 0.246258 0.831897 O\n0.140770 0.739715 0.361165 O\n0.148802 0.736984 0.851285 O\n0.655152 0.216927 0.354215 O\n0.655526 0.217278 0.853963 O\n0.641184 0.726658 0.361186 O\n0.643802 0.727224 0.859094 O\n0.362608 0.766373 0.142243 O\n0.357862 0.771390 0.649596 O\n0.847084 0.276226 0.150984 O\n0.847890 0.276723 0.650973 O\n0.863153 0.768473 0.137054 O\n0.861788 0.766759 0.639216 O\n0.361529 0.491734 0.138771 O\n0.360635 0.491127 0.640998 O\n0.361638 0.996241 0.152358 O\n0.352682 0.992948 0.665557 O\n0.860913 0.482699 0.136638 O\n0.861538 0.484428 0.637574 O\n0.849172 0.978360 0.143585 O\n0.845408 0.977549 0.644357 O\n0.139998 0.008252 0.369524 O\n0.137330 0.008000 0.866693 O\n0.139895 0.513124 0.360586 O\n0.145498 0.517232 0.854674 O\n0.626918 0.029635 0.347650 O\n0.623230 0.027865 0.846513 O\n0.638802 0.520183 0.361298 O\n0.641400 0.521101 0.859625 O\n0.390133 0.515286 0.391578 O\n0.392272 0.517469 0.891131 O\n0.879405 0.012873 0.388810 O\n0.879944 0.013076 0.887409 O\n0.884380 0.510090 0.385527 O\n0.891624 0.515798 0.892599 O\n0.107342 0.482084 0.104659 O\n0.106354 0.480019 0.607081 O\n0.100903 0.983122 0.120027 O\n0.098503 0.980106 0.619870 O\n0.616552 0.490324 0.116500 O\n0.615313 0.490898 0.616019 O\n0.598521 0.999151 0.087879 O\n0.586989 0.993685 0.579234 O\n0.004150 0.377238 0.277410 O\n0.002107 0.379348 0.782190 O\n0.993730 0.872003 0.287973 O\n0.997379 0.869808 0.791780 O\n0.499870 0.378206 0.267221 O\n0.500531 0.378913 0.767624 O\n0.512492 0.870455 0.288342 O\n0.520198 0.868487 0.777726 O\n0.496005 0.626885 0.214311 O\n0.489424 0.626895 0.712011 O\n0.993831 0.130877 0.226659 O\n0.993966 0.132235 0.725879 O\n0.993598 0.624376 0.216956 O\n0.992257 0.624781 0.723820 O\n0.249214 0.126556 0.018301 O\n0.253999 0.125399 0.521830 O\n0.235452 0.630690 0.025735 O\n0.240952 0.632368 0.538863 O\n0.754934 0.125707 0.035607 O\n0.751257 0.124295 0.539218 O\n0.746802 0.625449 0.036347 O\n0.748954 0.625622 0.535399 O\n0.269258 0.352183 0.504179 O\n0.268915 0.354862 0.001852 O\n0.282148 0.881199 0.475131 O\n0.273034 0.879868 0.963924 O\n0.740334 0.374547 0.470559 O\n0.741836 0.375919 0.967598 O\n0.744610 0.873769 0.467747 O\n0.747515 0.873418 0.965973 O\n",
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"elements": [
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"Ca",
"Mn",
"O"
],
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"density": 4.452389549635424,
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"volume": 1871.845840462552,
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"formula_full": "Sr12 Ca20 Mn32 O88",
"formula_reduced": "Sr3Ca5Mn8O22",
"formula_anonymous": "A3B5C8D22",
"energy": -1167.81099099,
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"updated_at": "2021-11-28T01:37:40.668000Z",
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},
{
"id": "mp-764930",
"created_at": "2022-09-04T14:42:54.306769Z",
"structure_string": "Sr2 Fe23 O38\n1.0\n-5.934534 0.000000 0.000000\n2.965307 5.164872 0.000000\n-0.050989 -0.096246 -23.264967\nSr Fe O\n2 23 38\ndirect\n0.337057 0.668986 0.748748 Sr\n0.673253 0.331072 0.250434 Sr\n0.167185 0.335573 0.611910 Fe\n0.167614 0.335182 0.891334 Fe\n0.332233 0.660350 0.194606 Fe\n0.332031 0.665643 0.026759 Fe\n0.663186 0.832608 0.607228 Fe\n0.334972 0.665733 0.309563 Fe\n0.998909 0.001611 0.999715 Fe\n0.998603 0.998431 0.501300 Fe\n0.998626 0.997365 0.750995 Fe\n0.331782 0.667836 0.474961 Fe\n0.664684 0.831161 0.891455 Fe\n0.169070 0.832227 0.890527 Fe\n0.168117 0.832849 0.607111 Fe\n0.833235 0.165067 0.109578 Fe\n0.836761 0.172577 0.393918 Fe\n0.666491 0.334634 0.689334 Fe\n0.666329 0.336192 0.973596 Fe\n0.666028 0.331360 0.528738 Fe\n0.667427 0.331877 0.808473 Fe\n0.334758 0.164972 0.390593 Fe\n0.332852 0.163628 0.108511 Fe\n0.835815 0.667645 0.108554 Fe\n0.830637 0.665252 0.390725 Fe\n0.152777 0.308823 0.050624 O\n0.150843 0.311173 0.447435 O\n0.496896 0.502581 0.849947 O\n0.500338 0.518399 0.651163 O\n0.189673 0.385285 0.246112 O\n0.332021 0.666886 0.943824 O\n0.334978 0.671464 0.557849 O\n0.690891 0.847679 0.050299 O\n0.998921 0.000633 0.146309 O\n0.992365 0.004137 0.353176 O\n0.995095 0.991515 0.650371 O\n0.684929 0.833706 0.449597 O\n0.000615 0.999950 0.846832 O\n0.608538 0.805476 0.248086 O\n0.015407 0.518129 0.650739 O\n0.012249 0.504394 0.848318 O\n0.198166 0.804967 0.250660 O\n0.838967 0.148552 0.554926 O\n0.846315 0.154009 0.948577 O\n0.491039 0.984364 0.648795 O\n0.494810 0.988350 0.848028 O\n0.516607 0.014164 0.349449 O\n0.498891 0.999446 0.150953 O\n0.152030 0.848804 0.050600 O\n0.157779 0.845092 0.447744 O\n0.816868 0.182573 0.747744 O\n0.001124 0.502481 0.151080 O\n0.998282 0.505459 0.347775 O\n0.665119 0.332103 0.444944 O\n0.668310 0.333319 0.056675 O\n0.365398 0.183445 0.748430 O\n0.305134 0.151558 0.948567 O\n0.309143 0.150158 0.554727 O\n0.815075 0.632846 0.750429 O\n0.502595 0.498748 0.151085 O\n0.500726 0.495465 0.347672 O\n0.848525 0.695117 0.948633 O\n0.844497 0.688524 0.555692 O\n",
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},
{
"id": "mp-1185276",
"created_at": "2022-09-04T14:45:57.252972Z",
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"formula_full": "Fe24 O32",
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"energy": -450.4533037,
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},
{
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