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{
"id": "mp-1018084",
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{
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{
"id": "mp-560456",
"created_at": "2022-09-04T14:45:00.184395Z",
"structure_string": "Hg16 Te16 O56\n1.0\n6.985454 -12.058345 0.000000\n6.985454 12.058345 0.000000\n0.000000 0.000000 7.577964\nHg Te O\n16 16 56\ndirect\n0.235827 0.726900 0.520255 Hg\n0.494936 0.754263 0.953576 Hg\n0.754263 0.494936 0.046424 Hg\n0.726900 0.235827 0.479745 Hg\n0.251844 0.011673 0.951676 Hg\n0.283615 0.283615 0.000000 Hg\n0.291704 0.291704 0.500000 Hg\n0.791704 0.791704 0.000000 Hg\n0.735827 0.226900 0.979745 Hg\n0.254263 0.994936 0.453576 Hg\n0.994936 0.254263 0.546424 Hg\n0.011673 0.251844 0.048324 Hg\n0.511673 0.751844 0.451676 Hg\n0.783615 0.783615 0.500000 Hg\n0.751844 0.511673 0.548324 Hg\n0.226900 0.735827 0.020255 Hg\n0.464701 0.967546 0.739530 Te\n0.042505 0.041028 0.250028 Te\n0.967546 0.464701 0.260470 Te\n0.541028 0.542505 0.750028 Te\n0.755433 0.031073 0.249660 Te\n0.964701 0.467546 0.760470 Te\n0.249941 0.479740 0.756857 Te\n0.031073 0.755433 0.750340 Te\n0.749941 0.979740 0.743143 Te\n0.979740 0.749941 0.256857 Te\n0.255433 0.531073 0.250340 Te\n0.479740 0.249941 0.243143 Te\n0.531073 0.255433 0.749660 Te\n0.542505 0.541028 0.249972 Te\n0.041028 0.042505 0.749972 Te\n0.467546 0.964701 0.239530 Te\n0.064852 0.917933 0.709608 O\n0.564852 0.417933 0.790392 O\n0.695759 0.631333 0.694849 O\n0.950700 0.590654 0.190146 O\n0.377105 0.209439 0.441065 O\n0.195759 0.131333 0.805151 O\n0.662916 0.507418 0.273293 O\n0.090654 0.450700 0.690146 O\n0.867356 0.310717 0.733069 O\n0.136038 0.820281 0.945126 O\n0.209439 0.377105 0.558935 O\n0.877105 0.709439 0.058935 O\n0.071688 0.628090 0.782448 O\n0.383175 0.190593 0.044174 O\n0.507418 0.662916 0.726707 O\n0.587125 0.587125 0.000000 O\n0.443438 0.381721 0.195862 O\n0.709439 0.877105 0.941065 O\n0.440319 0.993176 0.992277 O\n0.500035 0.845452 0.195202 O\n0.590654 0.950700 0.809854 O\n0.320281 0.636038 0.445126 O\n0.571688 0.128090 0.717552 O\n0.495275 0.495275 0.500000 O\n0.690593 0.883175 0.544174 O\n0.943438 0.881721 0.304138 O\n0.845452 0.500035 0.804798 O\n0.793074 0.124751 0.454933 O\n0.345452 0.000035 0.695202 O\n0.493176 0.940319 0.492277 O\n0.993176 0.440319 0.007723 O\n0.820281 0.136038 0.054874 O\n0.124751 0.793074 0.545067 O\n0.631333 0.695759 0.305151 O\n0.293074 0.624751 0.045067 O\n0.917933 0.064852 0.290392 O\n0.087125 0.087125 0.500000 O\n0.450700 0.090654 0.309854 O\n0.881721 0.943438 0.695862 O\n0.940319 0.493176 0.507723 O\n0.000035 0.345452 0.304798 O\n0.628090 0.071688 0.217552 O\n0.883175 0.690593 0.455826 O\n0.007418 0.162916 0.773293 O\n0.162916 0.007418 0.226707 O\n0.624751 0.293074 0.954933 O\n0.310717 0.867356 0.266931 O\n0.810717 0.367356 0.233069 O\n0.128090 0.571688 0.282448 O\n0.367356 0.810717 0.766931 O\n0.636038 0.320281 0.554874 O\n0.381721 0.443438 0.804138 O\n0.995275 0.995275 0.000000 O\n0.131333 0.195759 0.194849 O\n0.190593 0.383175 0.955826 O\n0.417933 0.564852 0.209608 O\n",
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"density": 7.995541594924899,
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"formula_full": "Hg16 Te16 O56",
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{
"id": "mp-542810",
"created_at": "2022-09-04T14:45:00.236277Z",
"structure_string": "As16 S16\n1.0\n14.702531 0.000000 0.000000\n0.000000 7.127198 0.000000\n0.000000 4.367198 9.425041\nAs S\n16 16\ndirect\n0.514537 0.348399 0.376877 As\n0.126345 0.152778 0.688816 As\n0.656570 0.684199 0.539736 As\n0.343430 0.315801 0.460264 As\n0.626345 0.847222 0.811184 As\n0.985463 0.348399 0.876877 As\n0.156570 0.315801 0.960264 As\n0.843430 0.684199 0.039736 As\n0.485463 0.651601 0.623123 As\n0.362462 0.558062 0.089954 As\n0.373655 0.152778 0.188816 As\n0.862462 0.441938 0.410046 As\n0.637538 0.441938 0.910046 As\n0.137538 0.558062 0.589954 As\n0.873655 0.847222 0.311184 As\n0.014537 0.651601 0.123123 As\n0.783412 0.421230 0.230044 S\n0.985932 0.109688 0.786956 S\n0.499089 0.621184 0.163721 S\n0.201785 0.065970 0.895182 S\n0.014068 0.890312 0.213044 S\n0.999089 0.378816 0.336279 S\n0.000911 0.621184 0.663721 S\n0.514068 0.109688 0.286956 S\n0.716588 0.421230 0.730044 S\n0.798215 0.934030 0.104818 S\n0.283412 0.578770 0.269956 S\n0.298215 0.065970 0.395182 S\n0.701785 0.934030 0.604818 S\n0.500911 0.378816 0.836279 S\n0.485932 0.890312 0.713044 S\n0.216588 0.578770 0.769956 S\n",
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{
"id": "mp-25386",
"created_at": "2022-09-04T14:45:00.258233Z",
"structure_string": "Li2 Fe4 O8\n1.0\n5.174758 0.000000 2.987648\n1.724919 4.878809 2.987648\n0.000000 0.000000 5.975295\nLi Fe O\n2 4 8\ndirect\n0.125000 0.125000 0.125001 Li\n0.874999 0.874999 0.875002 Li\n0.499998 0.500001 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000002 0.500001 0.500000 Fe\n0.499998 0.500001 0.000001 Fe\n0.261820 0.261819 0.714541 O\n0.738181 0.738180 0.738180 O\n0.738181 0.738180 0.285460 O\n0.261820 0.714541 0.261819 O\n0.261820 0.261819 0.261820 O\n0.285460 0.738180 0.738182 O\n0.738181 0.285458 0.738181 O\n0.714542 0.261819 0.261820 O\n",
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"volume": 150.8562167852429,
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"formula_full": "Li2 Fe4 O8",
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"formula_anonymous": "AB2C4",
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{
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"structure_string": "Mn4 As2 P2\n1.0\n3.320244 0.000000 0.000000\n0.000000 5.352055 0.000000\n0.000000 0.000000 5.969557\nMn As P\n4 2 2\ndirect\n0.500000 0.493897 0.051089 Mn\n0.500000 0.993897 0.948911 Mn\n0.000000 0.496700 0.436023 Mn\n0.000000 0.996700 0.563977 Mn\n0.500000 0.310300 0.674260 As\n0.500000 0.810300 0.325740 As\n0.000000 0.699104 0.832244 P\n0.000000 0.199104 0.167756 P\n",
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{
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{
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"structure_string": "Li8 Cr12 Cu4 O32\n1.0\n8.383441 0.009555 0.020026\n0.009391 8.351786 0.025074\n0.020239 0.025096 8.356962\nLi Cr Cu O\n8 12 4 32\ndirect\n0.002994 0.003423 0.001279 Li\n0.250279 0.247158 0.249228 Li\n0.249391 0.749572 0.749627 Li\n0.501480 0.002440 0.501277 Li\n0.502517 0.499710 0.999772 Li\n0.746782 0.249606 0.752508 Li\n0.748551 0.746020 0.250983 Li\n0.999594 0.503368 0.498687 Li\n0.121909 0.127215 0.625700 Cr\n0.127418 0.374978 0.878068 Cr\n0.128855 0.621156 0.124967 Cr\n0.375376 0.372975 0.626916 Cr\n0.375368 0.624625 0.374969 Cr\n0.375513 0.875331 0.127704 Cr\n0.623880 0.374343 0.374918 Cr\n0.623633 0.125611 0.124272 Cr\n0.626244 0.875769 0.875288 Cr\n0.874044 0.123525 0.372664 Cr\n0.873289 0.876187 0.624125 Cr\n0.873189 0.624716 0.876573 Cr\n0.125461 0.876049 0.374048 Cu\n0.375756 0.125503 0.875452 Cu\n0.622587 0.626168 0.624693 Cu\n0.875264 0.373062 0.124283 Cu\n0.102267 0.119323 0.387919 O\n0.102931 0.886888 0.615827 O\n0.112451 0.605936 0.883246 O\n0.137095 0.146291 0.864801 O\n0.126001 0.382953 0.102881 O\n0.134685 0.367934 0.644280 O\n0.146580 0.635522 0.364389 O\n0.147903 0.859996 0.127549 O\n0.359429 0.146325 0.627686 O\n0.362896 0.373204 0.855122 O\n0.368961 0.635941 0.144751 O\n0.378814 0.607615 0.607096 O\n0.371878 0.861495 0.357663 O\n0.384587 0.385286 0.393822 O\n0.388183 0.108735 0.116421 O\n0.392197 0.879967 0.893657 O\n0.610007 0.384819 0.613037 O\n0.602990 0.610547 0.381623 O\n0.607718 0.884353 0.114354 O\n0.628344 0.358743 0.139602 O\n0.616943 0.103418 0.887628 O\n0.645950 0.132534 0.363163 O\n0.643963 0.872455 0.639836 O\n0.633965 0.646931 0.864916 O\n0.866726 0.357901 0.354612 O\n0.863757 0.140657 0.136449 O\n0.857025 0.867947 0.863919 O\n0.880817 0.892505 0.386754 O\n0.866748 0.646851 0.637699 O\n0.881312 0.108578 0.611078 O\n0.887515 0.384752 0.895079 O\n0.889987 0.605230 0.115282 O\n",
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{
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"structure_string": "Ta12 C8\n1.0\n1.568830 -2.717294 0.000000\n1.568830 2.717294 0.000000\n0.000000 0.000000 30.326569\nTa C\n12 8\ndirect\n0.000000 0.000000 0.875517 Ta\n0.666667 0.333333 0.206943 Ta\n0.333333 0.666667 0.540767 Ta\n0.333333 0.666667 0.793057 Ta\n0.000000 0.000000 0.124483 Ta\n0.666667 0.333333 0.459233 Ta\n0.000000 0.000000 0.710667 Ta\n0.666667 0.333333 0.042439 Ta\n0.333333 0.666667 0.377166 Ta\n0.333333 0.666667 0.957561 Ta\n0.000000 0.000000 0.289333 Ta\n0.666667 0.333333 0.622834 Ta\n0.666667 0.333333 0.915782 C\n0.333333 0.666667 0.246891 C\n0.000000 0.000000 0.580354 C\n0.666667 0.333333 0.753109 C\n0.333333 0.666667 0.084218 C\n0.000000 0.000000 0.419646 C\n0.666667 0.333333 0.333301 C\n0.333333 0.666667 0.666699 C\n",
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{
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{
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"structure_string": "Ni1 Ag2 Sn3 S8\n1.0\n7.119754 0.000000 0.000000\n-3.468305 6.926290 0.000000\n-2.705559 -2.008791 7.208067\nNi Ag Sn S\n1 2 3 8\ndirect\n0.500000 0.000000 0.000000 Ni\n0.500000 0.000000 0.500000 Ag\n0.000000 0.500000 0.000000 Ag\n0.256201 0.450440 0.584337 Sn\n0.743799 0.549560 0.415663 Sn\n0.000000 0.000000 0.000000 Sn\n0.144303 0.652093 0.367399 S\n0.307710 0.131016 0.846777 S\n0.636440 0.319785 0.055847 S\n0.731929 0.814808 0.679803 S\n0.855697 0.347907 0.632601 S\n0.692290 0.868984 0.153223 S\n0.363560 0.680215 0.944153 S\n0.268071 0.185192 0.320197 S\n",
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"volume": 355.4548745658357,
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"formula_full": "Ni1 Ag2 Sn3 S8",
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},
{
"id": "mp-555206",
"created_at": "2022-09-04T14:44:51.762575Z",
"structure_string": "K8 Li8 Cr8 O32\n1.0\n5.277399 0.000000 0.000000\n0.000000 8.489167 0.000000\n0.000000 0.000000 19.765416\nK Li Cr O\n8 8 8 32\ndirect\n0.794176 0.481396 0.235295 K\n0.767560 0.174202 0.052211 K\n0.267560 0.325798 0.552211 K\n0.267560 0.825798 0.947789 K\n0.767560 0.674202 0.447789 K\n0.794176 0.981396 0.264705 K\n0.294176 0.018604 0.735295 K\n0.294176 0.518604 0.764705 K\n0.246659 0.498072 0.056710 Li\n0.246926 0.308424 0.344895 Li\n0.746926 0.191576 0.844895 Li\n0.746926 0.691576 0.655105 Li\n0.246659 0.998072 0.443290 Li\n0.746659 0.001928 0.556710 Li\n0.746659 0.501928 0.943290 Li\n0.246926 0.808424 0.155105 Li\n0.748411 0.795144 0.822561 Cr\n0.248411 0.204856 0.177439 Cr\n0.250504 0.782757 0.572272 Cr\n0.248411 0.704856 0.322561 Cr\n0.750504 0.717243 0.072272 Cr\n0.250504 0.282757 0.927728 Cr\n0.748411 0.295144 0.677439 Cr\n0.750504 0.217243 0.427728 Cr\n0.617191 0.555128 0.037925 O\n0.204490 0.133970 0.979575 O\n0.637945 0.763353 0.744510 O\n0.065071 0.192015 0.418610 O\n0.116181 0.245545 0.853562 O\n0.142747 0.346508 0.125778 O\n0.116181 0.745545 0.646438 O\n0.137945 0.236647 0.255490 O\n0.616181 0.254455 0.353562 O\n0.641591 0.969177 0.849211 O\n0.642747 0.153492 0.625778 O\n0.565071 0.307985 0.918610 O\n0.137945 0.736647 0.244510 O\n0.065071 0.692015 0.081390 O\n0.141591 0.530823 0.349211 O\n0.637945 0.263353 0.755490 O\n0.617191 0.055128 0.462075 O\n0.141591 0.030823 0.150789 O\n0.565071 0.807985 0.581390 O\n0.642747 0.653492 0.874222 O\n0.061650 0.294385 0.678734 O\n0.142747 0.846508 0.374222 O\n0.704490 0.866030 0.020425 O\n0.704490 0.366030 0.479575 O\n0.117191 0.444872 0.962075 O\n0.117191 0.944872 0.537925 O\n0.616181 0.754455 0.146438 O\n0.061650 0.794385 0.821266 O\n0.561650 0.705615 0.321266 O\n0.641591 0.469177 0.650789 O\n0.204490 0.633970 0.520425 O\n0.561650 0.205615 0.178734 O\n",
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"elements": [
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"Cr",
"O"
],
"chemical_system": "Cr-K-Li-O",
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}
]
}