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{
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{
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{
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{
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{
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{
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"structure_string": "Cr8 Fe24 O48\n1.0\n10.439917 0.023435 -0.215887\n0.018306 10.418416 -0.264714\n-0.260362 -0.256246 9.380071\nCr Fe O\n8 24 48\ndirect\n0.580898 0.340821 0.695802 Cr\n0.476414 0.493558 0.387723 Cr\n0.613638 0.730386 0.880662 Cr\n0.960534 0.698321 0.455498 Cr\n0.787745 0.442767 0.423629 Cr\n0.510750 0.379580 0.099797 Cr\n0.927903 0.025712 0.552325 Cr\n0.048639 0.542187 0.702673 Cr\n0.195944 0.894304 0.369874 Fe\n0.207153 0.348672 0.071291 Fe\n0.548130 0.046790 0.051203 Fe\n0.384110 0.158721 0.284151 Fe\n0.802330 0.991218 0.065065 Fe\n0.389713 0.073461 0.608557 Fe\n0.436223 0.812857 0.544387 Fe\n0.655499 0.012060 0.724067 Fe\n0.487385 0.794246 0.142389 Fe\n0.078978 0.764173 0.008361 Fe\n0.707491 0.614703 0.220019 Fe\n0.259724 0.308659 0.616438 Fe\n0.040890 0.172688 0.285613 Fe\n0.707307 0.678797 0.599487 Fe\n0.385420 0.538846 0.838092 Fe\n0.958487 0.254568 0.842662 Fe\n0.815327 0.278035 0.152064 Fe\n0.192808 0.061495 0.871298 Fe\n0.752635 0.484650 0.895797 Fe\n0.078641 0.446623 0.357657 Fe\n0.919012 0.831050 0.792403 Fe\n0.279284 0.632156 0.247185 Fe\n0.232171 0.759775 0.712489 Fe\n0.640273 0.954697 0.375526 Fe\n0.954169 0.406444 0.746831 O\n0.614787 0.877335 0.008194 O\n0.457879 0.199380 0.087871 O\n0.941384 0.853026 0.587597 O\n0.406225 0.962363 0.134518 O\n0.549881 0.172229 0.686969 O\n0.929273 0.314364 0.353786 O\n0.365131 0.785976 0.337017 O\n0.280568 0.167777 0.739523 O\n0.713147 0.081137 0.912945 O\n0.349971 0.418765 0.989326 O\n0.588710 0.393146 0.900209 O\n0.316935 0.538837 0.417067 O\n0.482405 0.039074 0.415978 O\n0.266518 0.904911 0.574506 O\n0.756344 0.036260 0.536366 O\n0.928921 0.124622 0.128811 O\n0.203952 0.219946 0.216348 O\n0.738727 0.822367 0.761927 O\n0.614815 0.816509 0.515407 O\n0.109683 0.672191 0.573181 O\n0.204725 0.584074 0.814337 O\n0.656620 0.789730 0.254427 O\n0.472204 0.571633 0.207841 O\n0.650308 0.575205 0.744315 O\n0.850411 0.347138 0.966619 O\n0.399555 0.688975 0.681953 O\n0.694091 0.349448 0.564504 O\n0.688778 0.055016 0.213149 O\n0.461955 0.339559 0.300413 O\n0.149062 0.499163 0.177692 O\n0.980314 0.667372 0.847260 O\n0.036249 0.021635 0.400017 O\n0.115565 0.234402 0.940279 O\n0.643819 0.567575 0.431718 O\n0.874592 0.583462 0.576400 O\n0.414950 0.411239 0.670486 O\n0.694246 0.414443 0.214240 O\n0.297256 0.186415 0.467746 O\n0.974016 0.092459 0.725182 O\n0.164936 0.868865 0.871143 O\n0.725368 0.632005 0.016980 O\n0.487828 0.941318 0.717776 O\n0.455107 0.679640 0.966371 O\n0.124531 0.416112 0.560547 O\n0.884158 0.584006 0.309586 O\n0.932345 0.877607 0.995499 O\n0.139271 0.767034 0.201354 O\n",
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"elements": [
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],
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"formula_full": "Cr8 Fe24 O48",
"formula_reduced": "Cr(FeO2)3",
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"updated_at": "2021-11-28T01:36:39.497000Z",
"spacegroup": 1
},
{
"id": "mp-1018040",
"created_at": "2022-09-04T14:44:09.356301Z",
"structure_string": "Mg2 Se2\n1.0\n2.126904 -3.683906 0.000000\n2.126904 3.683906 0.000000\n0.000000 0.000000 6.885267\nMg Se\n2 2\ndirect\n0.666667 0.333333 0.498757 Mg\n0.333333 0.666667 0.998757 Mg\n0.666667 0.333333 0.876243 Se\n0.333333 0.666667 0.376243 Se\n",
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"formula_full": "Mg2 Se2",
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{
"id": "mp-799530",
"created_at": "2022-09-04T14:44:09.359348Z",
"structure_string": "Li3 Mn5 O1 F11\n1.0\n5.363560 0.000000 0.000000\n-2.605522 -5.143780 0.000000\n0.141427 2.939007 -8.948320\nLi Mn O F\n3 5 1 11\ndirect\n0.520765 0.045439 0.498185 Li\n0.773577 0.011449 0.257409 Li\n0.309427 0.037460 0.778829 Li\n0.445855 0.569640 0.149987 Mn\n0.984515 0.009472 0.999140 Mn\n0.951139 0.630598 0.639932 Mn\n0.212080 0.587010 0.410328 Mn\n0.670141 0.610361 0.894976 Mn\n0.567316 0.801695 0.956055 O\n0.440472 0.484165 0.349125 F\n0.517088 0.079459 0.307818 F\n0.023730 0.135285 0.791350 F\n0.428755 0.096380 0.047614 F\n0.926492 0.113406 0.537858 F\n0.943629 0.519048 0.847800 F\n0.999889 0.470555 0.108387 F\n0.041962 0.807336 0.443847 F\n0.401545 0.815008 0.686642 F\n0.913239 0.801983 0.209095 F\n0.503023 0.473775 0.610499 F\n",
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{
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"formula_full": "K1 Na1 B2 H8",
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{
"id": "mp-862738",
"created_at": "2022-09-04T14:44:09.375549Z",
"structure_string": "Pu1 Cd1 Rh2\n1.0\n0.000000 3.300424 3.300424\n3.300424 0.000000 3.300424\n3.300424 3.300424 0.000000\nPu Cd Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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]
}