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{
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{
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"structure_string": "K2 Zn2 P4 H10 O18\n1.0\n-7.738561 0.000000 0.000000\n2.436881 7.527872 0.000000\n-0.719443 -3.392446 -7.284221\nK Zn P H O\n2 2 4 10 18\ndirect\n0.861521 0.775630 0.776045 K\n0.138479 0.224370 0.223955 K\n0.739208 0.231775 0.969116 Zn\n0.260792 0.768225 0.030884 Zn\n0.377865 0.951475 0.745597 P\n0.622135 0.048525 0.254403 P\n0.079612 0.320805 0.740227 P\n0.920388 0.679195 0.259773 P\n0.543588 0.523463 0.273311 H\n0.456412 0.476537 0.726689 H\n0.446684 0.669109 0.273610 H\n0.553316 0.330891 0.726390 H\n0.860632 0.280798 0.563192 H\n0.139368 0.719202 0.436808 H\n0.201798 0.078937 0.576829 H\n0.798202 0.921063 0.423171 H\n0.466336 0.702685 0.537915 H\n0.533664 0.297315 0.462085 H\n0.257312 0.917922 0.586132 O\n0.476669 0.785251 0.677499 O\n0.737676 0.063797 0.091784 O\n0.523331 0.214749 0.322501 O\n0.764782 0.503074 0.142119 O\n0.235218 0.496926 0.857881 O\n0.839496 0.812918 0.434724 O\n0.160504 0.187082 0.565276 O\n0.525089 0.154165 0.810793 O\n0.474911 0.845835 0.189207 O\n0.967974 0.201718 0.842506 O\n0.032026 0.798282 0.157494 O\n0.045346 0.602710 0.339975 O\n0.954654 0.397290 0.660025 O\n0.562349 0.429324 0.677155 O\n0.437651 0.570676 0.322845 O\n0.262324 0.936203 0.908216 O\n0.742688 0.082078 0.413868 O\n",
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{
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"created_at": "2022-09-04T14:42:45.775939Z",
"structure_string": "Na2 Mg2 Fe2 S6 O24\n1.0\n7.500381 -0.031949 4.206282\n2.596212 7.059750 4.217435\n-0.076224 -0.042119 8.928651\nNa Mg Fe S O\n2 2 2 6 24\ndirect\n0.001680 0.501161 0.996050 Na\n0.501391 0.000904 0.496141 Na\n0.147096 0.645153 0.558172 Mg\n0.649621 0.145125 0.058243 Mg\n0.349582 0.852982 0.946174 Fe\n0.851418 0.353066 0.446106 Fe\n0.246856 0.042815 0.252214 S\n0.046436 0.247724 0.752481 S\n0.541768 0.457001 0.252667 S\n0.458073 0.542730 0.752067 S\n0.953344 0.747468 0.252626 S\n0.748912 0.956846 0.752663 S\n0.077848 0.220197 0.265754 O\n0.277009 0.019443 0.082988 O\n0.015072 0.286905 0.584732 O\n0.113331 0.786633 0.084499 O\n0.411350 0.068781 0.236555 O\n0.226602 0.079735 0.757316 O\n0.071675 0.409876 0.741962 O\n0.570469 0.284346 0.231982 O\n0.383962 0.484842 0.416000 O\n0.212377 0.882116 0.409898 O\n0.508703 0.623397 0.088915 O\n0.283371 0.568017 0.737132 O\n0.720216 0.438708 0.261469 O\n0.495889 0.381953 0.909869 O\n0.778920 0.123317 0.588847 O\n0.620566 0.519619 0.582865 O\n0.435933 0.720323 0.765630 O\n0.935871 0.579909 0.257504 O\n0.776381 0.910014 0.242211 O\n0.579697 0.938034 0.761953 O\n0.890799 0.205928 0.914486 O\n0.989051 0.705648 0.414269 O\n0.715313 0.984827 0.915800 O\n0.913418 0.784457 0.731759 O\n",
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{
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"structure_string": "Y3 Co2 Ge4\n1.0\n0.000000 -4.167539 0.000000\n-5.056189 2.083770 1.619715\n0.003910 0.000000 -8.029381\nY Co Ge\n3 2 4\ndirect\n0.376295 0.752591 0.307816 Y\n0.623705 0.247409 0.692184 Y\n0.000000 0.000000 0.000000 Y\n0.310155 0.620310 0.630471 Co\n0.689845 0.379690 0.369529 Co\n0.098066 0.196133 0.400725 Ge\n0.901934 0.803867 0.599275 Ge\n0.709911 0.419823 0.080678 Ge\n0.290089 0.580177 0.919322 Ge\n",
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"formula_full": "Y3 Co2 Ge4",
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{
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"structure_string": "Mg4 Mn4 N8\n1.0\n5.559338 0.000000 0.000000\n0.000000 6.414643 0.000000\n0.000000 0.000000 5.143263\nMg Mn N\n4 4 8\ndirect\n0.595017 0.878845 0.997482 Mg\n0.404983 0.121155 0.497482 Mg\n0.904983 0.378845 0.497482 Mg\n0.095017 0.621155 0.997482 Mg\n0.574067 0.371707 0.006829 Mn\n0.425933 0.628293 0.506829 Mn\n0.925933 0.871707 0.506829 Mn\n0.074067 0.128293 0.006829 Mn\n0.554058 0.398685 0.354836 N\n0.445942 0.601315 0.854836 N\n0.945942 0.898685 0.854836 N\n0.054058 0.101315 0.354836 N\n0.609175 0.852658 0.410854 N\n0.390825 0.147342 0.910854 N\n0.890825 0.352658 0.910854 N\n0.109175 0.647342 0.410854 N\n",
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{
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"formula_full": "Ba8 La4 Bi4 O24",
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},
{
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"structure_string": "Li12 Mn12 P12 O48\n1.0\n7.970377 0.000000 0.000000\n0.000000 8.837855 0.000000\n0.000000 8.612124 15.392553\nLi Mn P O\n12 12 12 48\ndirect\n0.991966 0.271698 0.935601 Li\n0.015462 0.637272 0.586584 Li\n0.867121 0.004299 0.246298 Li\n0.367121 0.995701 0.253702 Li\n0.515462 0.362728 0.913416 Li\n0.491966 0.728302 0.564399 Li\n0.508034 0.271698 0.435601 Li\n0.484538 0.637272 0.086584 Li\n0.632879 0.004299 0.746298 Li\n0.132879 0.995701 0.753702 Li\n0.984538 0.362728 0.413416 Li\n0.008034 0.728302 0.064399 Li\n0.664793 0.652263 0.404846 Mn\n0.823086 0.314861 0.763028 Mn\n0.664571 0.016868 0.081261 Mn\n0.164571 0.983132 0.418739 Mn\n0.323086 0.685139 0.736972 Mn\n0.164793 0.347737 0.095154 Mn\n0.835207 0.652263 0.904846 Mn\n0.676914 0.314861 0.263028 Mn\n0.835429 0.016868 0.581261 Mn\n0.335429 0.983132 0.918739 Mn\n0.176914 0.685139 0.236972 Mn\n0.335207 0.347737 0.595154 Mn\n0.258007 0.638832 0.412642 P\n0.221763 0.313446 0.772290 P\n0.264885 0.036157 0.071825 P\n0.764885 0.963843 0.428175 P\n0.721763 0.686554 0.727710 P\n0.758007 0.361168 0.087358 P\n0.241993 0.638832 0.912642 P\n0.278237 0.313446 0.272290 P\n0.235115 0.036157 0.571825 P\n0.735115 0.963843 0.928175 P\n0.778237 0.686554 0.227710 P\n0.741993 0.361168 0.587358 P\n0.573360 0.441085 0.596221 O\n0.880912 0.414737 0.631645 O\n0.782282 0.091812 0.961952 O\n0.054760 0.263891 0.825318 O\n0.367786 0.254173 0.839060 O\n0.767523 0.786200 0.280313 O\n0.215694 0.577168 0.509416 O\n0.286020 0.930384 0.172384 O\n0.433520 0.130997 0.030988 O\n0.226213 0.509782 0.704680 O\n0.272354 0.841387 0.364307 O\n0.126107 0.175827 0.046660 O\n0.626107 0.824173 0.453340 O\n0.772354 0.158613 0.135693 O\n0.726213 0.490218 0.795320 O\n0.933520 0.869003 0.469012 O\n0.786020 0.069616 0.327616 O\n0.715694 0.422832 0.990584 O\n0.867786 0.745827 0.660940 O\n0.267523 0.213800 0.219687 O\n0.554760 0.736109 0.674682 O\n0.282282 0.908188 0.538048 O\n0.380912 0.585263 0.868355 O\n0.073360 0.558915 0.903779 O\n0.926640 0.441085 0.096221 O\n0.619088 0.414737 0.131645 O\n0.717718 0.091812 0.461952 O\n0.445240 0.263891 0.325318 O\n0.732477 0.786200 0.780313 O\n0.132214 0.254173 0.339060 O\n0.284306 0.577168 0.009416 O\n0.213980 0.930384 0.672384 O\n0.066480 0.130997 0.530988 O\n0.273787 0.509782 0.204680 O\n0.227646 0.841387 0.864307 O\n0.373893 0.175827 0.546660 O\n0.873893 0.824173 0.953340 O\n0.727646 0.158613 0.635693 O\n0.773787 0.490218 0.295320 O\n0.566480 0.869003 0.969012 O\n0.713980 0.069616 0.827616 O\n0.784306 0.422832 0.490584 O\n0.232477 0.213800 0.719687 O\n0.632214 0.745827 0.160940 O\n0.945240 0.736109 0.174682 O\n0.217718 0.908188 0.038048 O\n0.119088 0.585263 0.368355 O\n0.426640 0.558915 0.403779 O\n",
"nsites": 84,
"nelements": 4,
"elements": [
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"P",
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],
"chemical_system": "Li-Mn-O-P",
"density": 2.882568256726972,
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"volume": 1084.2673834118186,
"volume_molar": 7.7733461956938825,
"formula_full": "Li12 Mn12 P12 O48",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:35:52.168000Z",
"spacegroup": 14
},
{
"id": "mp-755577",
"created_at": "2022-09-04T14:42:45.803843Z",
"structure_string": "Li3 Mn4 Co1 O8\n1.0\n3.064658 5.187639 0.000000\n-3.064658 5.187639 0.000000\n0.000000 3.612964 4.954298\nLi Mn Co O\n3 4 1 8\ndirect\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.252540 0.252540 0.205019 O\n0.763027 0.263278 0.234223 O\n0.263278 0.763027 0.234223 O\n0.746279 0.746279 0.273382 O\n0.253721 0.253721 0.726618 O\n0.736722 0.236973 0.765777 O\n0.236973 0.736722 0.765777 O\n0.747460 0.747460 0.794981 O\n",
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"elements": [
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],
"chemical_system": "Co-Li-Mn-O",
"density": 4.5063504591452075,
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"formula_full": "Li3 Mn4 Co1 O8",
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"updated_at": "2021-11-28T01:36:07.037000Z",
"spacegroup": 12
}
]
}