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{
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{
"id": "mp-1516684",
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"structure_string": "K1 Nd1 Mn4 O12\n1.0\n0.000000 3.791448 3.829828\n0.000000 -3.791448 3.829828\n7.656143 0.000000 0.000000\nK Nd Mn O\n1 1 4 12\ndirect\n0.005579 0.005579 -0.000000 K\n0.491401 0.491401 0.500000 Nd\n0.499740 0.998709 0.756871 Mn\n0.499740 0.998709 0.243129 Mn\n0.998709 0.499740 0.243129 Mn\n0.998709 0.499740 0.756871 Mn\n0.757591 0.242282 0.731423 O\n0.242282 0.757591 0.731423 O\n0.242282 0.757591 0.268577 O\n0.757591 0.242282 0.268577 O\n0.724059 0.724059 0.721523 O\n0.281412 0.281412 0.757465 O\n0.281412 0.281412 0.242535 O\n0.724059 0.724059 0.278477 O\n0.517021 0.974754 0.000000 O\n0.480902 0.023454 0.500000 O\n0.974754 0.517021 0.000000 O\n0.023454 0.480902 0.500000 O\n",
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{
"id": "mp-21976",
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"structure_string": "Ca20 Cr12 O48\n1.0\n6.801102 0.000000 0.000000\n0.000000 10.416973 0.000000\n0.000000 0.000000 16.220686\nCa Cr O\n20 12 48\ndirect\n0.038912 0.676805 0.250000 Ca\n0.538912 0.823195 0.250000 Ca\n0.961088 0.323195 0.750000 Ca\n0.461088 0.176805 0.750000 Ca\n0.625352 0.433388 0.907476 Ca\n0.125352 0.066612 0.592524 Ca\n0.374648 0.566612 0.407476 Ca\n0.874648 0.933388 0.092524 Ca\n0.374648 0.566612 0.092524 Ca\n0.874648 0.933388 0.407476 Ca\n0.625352 0.433388 0.592524 Ca\n0.125352 0.066612 0.907476 Ca\n0.680642 0.833598 0.893633 Ca\n0.180642 0.666402 0.606367 Ca\n0.319358 0.166402 0.393633 Ca\n0.819358 0.333598 0.106367 Ca\n0.319358 0.166402 0.106367 Ca\n0.819358 0.333598 0.393633 Ca\n0.680642 0.833598 0.606367 Ca\n0.180642 0.666402 0.893633 Ca\n0.361138 0.870345 0.071502 Cr\n0.861138 0.629655 0.428498 Cr\n0.638862 0.129655 0.571502 Cr\n0.138862 0.370345 0.928498 Cr\n0.638862 0.129655 0.928498 Cr\n0.138862 0.370345 0.571502 Cr\n0.361138 0.870345 0.428498 Cr\n0.861138 0.629655 0.071502 Cr\n0.525262 0.421604 0.250000 Cr\n0.025262 0.078396 0.250000 Cr\n0.474738 0.578396 0.750000 Cr\n0.974738 0.921604 0.750000 Cr\n0.775710 0.412613 0.250000 O\n0.275710 0.087387 0.250000 O\n0.224290 0.587387 0.750000 O\n0.724290 0.912613 0.750000 O\n0.421201 0.572928 0.250000 O\n0.921201 0.927072 0.250000 O\n0.578799 0.427072 0.750000 O\n0.078799 0.072928 0.750000 O\n0.187478 0.985818 0.038771 O\n0.687478 0.514182 0.461229 O\n0.812522 0.014182 0.538771 O\n0.312522 0.485818 0.961229 O\n0.812522 0.014182 0.961229 O\n0.312522 0.485818 0.538771 O\n0.187478 0.985818 0.461229 O\n0.687478 0.514182 0.038771 O\n0.272667 0.771808 0.152380 O\n0.772667 0.728192 0.347620 O\n0.727333 0.228192 0.652380 O\n0.227333 0.271808 0.847620 O\n0.727333 0.228192 0.847620 O\n0.227333 0.271808 0.652380 O\n0.272667 0.771808 0.347620 O\n0.772667 0.728192 0.152380 O\n0.541200 0.965483 0.120000 O\n0.041200 0.534517 0.380000 O\n0.458800 0.034517 0.620000 O\n0.958800 0.465483 0.880000 O\n0.458800 0.034517 0.880000 O\n0.958800 0.465483 0.620000 O\n0.541200 0.965483 0.380000 O\n0.041200 0.534517 0.120000 O\n0.426509 0.767829 0.990403 O\n0.926509 0.732171 0.509597 O\n0.573491 0.232171 0.490403 O\n0.073491 0.267829 0.009597 O\n0.573491 0.232171 0.009597 O\n0.073491 0.267829 0.490403 O\n0.426509 0.767829 0.509597 O\n0.926509 0.732171 0.990403 O\n0.456425 0.354595 0.343225 O\n0.956425 0.145405 0.156775 O\n0.543575 0.645405 0.843225 O\n0.043575 0.854595 0.656775 O\n0.543575 0.645405 0.656775 O\n0.043575 0.854595 0.843225 O\n0.456425 0.354595 0.156775 O\n0.956425 0.145405 0.343225 O\n",
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"volume": 1149.1852525374607,
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"formula_full": "Ca20 Cr12 O48",
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"spacegroup": 62
},
{
"id": "mp-849663",
"created_at": "2022-09-04T14:39:35.269644Z",
"structure_string": "Cs4 Cr4 H96 S8 O80\n1.0\n12.474776 0.000000 0.000000\n0.000000 12.474776 0.000000\n0.000000 0.000000 12.474776\nCs Cr H S O\n4 4 96 8 80\ndirect\n0.000000 0.000000 0.500000 Cs\n0.000000 0.500000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n0.500000 0.000000 0.000000 Cs\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.019560 0.292647 0.434052 H\n0.019560 0.207353 0.934052 H\n0.023795 0.703648 0.439427 H\n0.023795 0.796352 0.939427 H\n0.005971 0.231782 0.277443 H\n0.005971 0.268218 0.777443 H\n0.060573 0.976205 0.203648 H\n0.060573 0.523795 0.703648 H\n0.065948 0.519560 0.292647 H\n0.065948 0.980440 0.792647 H\n0.123474 0.222618 0.320119 H\n0.123474 0.277382 0.820119 H\n0.179881 0.623474 0.222618 H\n0.179881 0.876526 0.722618 H\n0.207353 0.565948 0.519560 H\n0.207353 0.934052 0.019560 H\n0.203648 0.060573 0.976205 H\n0.203648 0.439427 0.476205 H\n0.222557 0.505971 0.231782 H\n0.222557 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"formula_full": "Cs4 Cr4 H96 S8 O80",
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"spacegroup": 205
},
{
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"structure_string": "Mn2 Cr4 O8\n1.0\n1.748860 4.960097 3.029110\n-5.265789 0.000008 3.040205\n5.259383 -0.004534 3.029107\nMn Cr O\n2 4 8\ndirect\n0.125011 0.125013 0.250024 Mn\n0.875052 0.875051 0.750103 Mn\n0.500134 0.999688 0.499827 Cr\n0.500135 0.500138 0.499828 Cr\n0.999689 0.500137 0.000273 Cr\n0.500015 0.500013 0.000026 Cr\n0.264018 0.264017 0.528034 O\n0.736224 0.291564 0.027788 O\n0.736224 0.736224 0.027788 O\n0.291565 0.736224 0.472448 O\n0.263733 0.263733 0.972255 O\n0.708522 0.263733 0.527465 O\n0.263733 0.708522 0.972255 O\n0.735944 0.735944 0.471888 O\n",
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{
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"structure_string": "Li5 Nb2 Ni3 O10\n1.0\n5.210764 0.000000 0.000000\n0.900295 5.141006 0.000000\n2.516236 2.117488 7.160002\nLi Nb Ni O\n5 2 3 10\ndirect\n0.506218 0.776498 0.397420 Li\n0.506795 0.581144 0.800764 Li\n0.000000 0.500000 0.500000 Li\n0.493205 0.418856 0.199236 Li\n0.493782 0.223502 0.602580 Li\n0.012816 0.898928 0.691905 Nb\n0.987184 0.101072 0.308095 Nb\n0.500000 0.000000 0.000000 Ni\n0.996453 0.301104 0.900319 Ni\n0.003547 0.698896 0.099681 Ni\n0.240041 0.952462 0.850768 O\n0.763430 0.661656 0.943554 O\n0.755098 0.848623 0.549256 O\n0.240181 0.773527 0.246454 O\n0.235636 0.567293 0.654347 O\n0.764364 0.432707 0.345653 O\n0.759819 0.226473 0.753546 O\n0.244902 0.151377 0.450744 O\n0.236570 0.338344 0.056446 O\n0.759959 0.047538 0.149232 O\n",
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},
{
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