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{
"id": "mp-1233546",
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"structure_string": "Mg1 Cu1 P4 Ru2 O14\n1.0\n4.969456 0.001198 0.155276\n-2.134303 -6.506004 0.230931\n0.035706 0.070276 -8.414048\nMg Cu P Ru O\n1 1 4 2 14\ndirect\n0.417783 0.535758 0.065497 Mg\n0.017096 0.999698 0.513275 Cu\n0.383552 0.762278 0.797651 P\n0.603358 0.233507 0.202771 P\n0.035173 0.660997 0.271916 P\n0.957145 0.342232 0.729631 P\n0.500710 0.497249 0.500402 Ru\n0.995859 0.000307 0.996813 Ru\n0.145815 0.824696 0.153708 O\n0.845373 0.169193 0.839641 O\n0.480130 0.756642 0.628466 O\n0.514584 0.233080 0.374213 O\n0.194466 0.522511 0.843293 O\n0.783544 0.483520 0.169124 O\n0.202687 0.902708 0.815478 O\n0.789298 0.100200 0.176370 O\n0.270885 0.560903 0.298252 O\n0.736051 0.440643 0.683646 O\n0.610505 0.776000 0.934814 O\n0.370307 0.230489 0.073196 O\n0.128473 0.286099 0.590740 O\n0.892206 0.718328 0.419230 O\n",
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{
"id": "mp-684822",
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"structure_string": "Co19 Te34\n1.0\n8.521360 0.000000 0.000000\n-1.625527 -9.239895 0.000000\n-0.912126 0.157580 -14.796974\nCo Te\n19 34\ndirect\n0.911023 0.234132 0.145137 Co\n0.145619 0.943221 0.087976 Co\n0.380514 0.649129 0.029656 Co\n0.619486 0.350871 0.970344 Co\n0.854381 0.056779 0.912024 Co\n0.088977 0.765868 0.854863 Co\n0.320583 0.466760 0.794945 Co\n0.558737 0.177071 0.735685 Co\n0.796754 0.885575 0.675545 Co\n0.028981 0.586972 0.615718 Co\n0.262192 0.297854 0.557674 Co\n0.500000 0.000000 0.500000 Co\n0.558603 0.676648 0.735778 Co\n0.737808 0.702146 0.442326 Co\n0.971019 0.413028 0.384282 Co\n0.203246 0.114425 0.324455 Co\n0.441263 0.822929 0.264315 Co\n0.679417 0.533240 0.205055 Co\n0.441397 0.323352 0.264222 Co\n0.448989 0.413141 0.096166 Te\n0.682700 0.116839 0.038097 Te\n0.612306 0.769301 0.137359 Te\n0.917604 0.822889 0.979226 Te\n0.849706 0.471263 0.078110 Te\n0.150294 0.528737 0.921890 Te\n0.082396 0.177111 0.020774 Te\n0.387694 0.230699 0.862641 Te\n0.317300 0.883161 0.961903 Te\n0.625141 0.943418 0.802703 Te\n0.551011 0.586859 0.903834 Te\n0.860997 0.647833 0.743543 Te\n0.788338 0.294797 0.844395 Te\n0.091204 0.350491 0.684252 Te\n0.026764 0.001998 0.786275 Te\n0.329396 0.058275 0.626118 Te\n0.256718 0.705172 0.726942 Te\n0.566660 0.766063 0.566321 Te\n0.492261 0.410349 0.667831 Te\n0.799109 0.468726 0.508947 Te\n0.729349 0.120995 0.608530 Te\n0.032562 0.175672 0.451182 Te\n0.967438 0.824328 0.548818 Te\n0.270651 0.879005 0.391470 Te\n0.200891 0.531274 0.491053 Te\n0.507739 0.589651 0.332169 Te\n0.433340 0.233937 0.433679 Te\n0.743282 0.294828 0.273058 Te\n0.670604 0.941725 0.373882 Te\n0.973236 0.998002 0.213725 Te\n0.908796 0.649509 0.315748 Te\n0.211662 0.705203 0.155605 Te\n0.139003 0.352167 0.256457 Te\n0.374859 0.056582 0.197297 Te\n",
"nsites": 53,
"nelements": 2,
"elements": [
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],
"chemical_system": "Co-Te",
"density": 7.779365363838764,
"density_atomic": 0.045491159831374174,
"volume": 1165.0615239633253,
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"formula_full": "Co19 Te34",
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"formula_anonymous": "A19B34",
"energy": -266.55905491,
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"spacegroup": 2
},
{
"id": "mp-764086",
"created_at": "2022-09-04T14:47:21.492457Z",
"structure_string": "V4 O1 F11\n1.0\n-5.242104 0.016756 0.026068\n-2.605789 -4.791061 0.028954\n-0.033798 -2.907693 8.640137\nV O F\n4 1 11\ndirect\n0.754244 0.507626 0.247439 V\n0.501313 0.001825 0.499358 V\n0.248434 0.496472 0.752375 V\n0.993972 0.980276 0.014511 V\n0.921204 0.759807 0.158343 O\n0.927092 0.747220 0.574565 F\n0.980886 0.245490 0.124979 F\n0.524633 0.751727 0.375311 F\n0.421646 0.752449 0.073022 F\n0.425445 0.748213 0.675794 F\n0.577417 0.255292 0.322306 F\n0.578267 0.252355 0.926277 F\n0.475588 0.249412 0.625198 F\n0.020869 0.759173 0.871638 F\n0.074951 0.240586 0.833674 F\n0.074036 0.252078 0.425210 F\n",
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"elements": [
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"chemical_system": "F-O-V",
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"formula_full": "V4 O1 F11",
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{
"id": "mp-1191534",
"created_at": "2022-09-04T14:47:21.499914Z",
"structure_string": "Sr8 Bi2 O14\n1.0\n0.000000 -6.188230 0.000000\n-6.901825 0.000000 1.431205\n-0.074816 0.000000 -9.421906\nSr Bi O\n8 2 14\ndirect\n0.167717 0.611347 0.074772 Sr\n0.667717 0.388653 0.925228 Sr\n0.639700 0.010681 0.125904 Sr\n0.139700 0.989319 0.874096 Sr\n0.166694 0.909121 0.440724 Sr\n0.666694 0.090879 0.559276 Sr\n0.173682 0.491664 0.611281 Sr\n0.673682 0.508336 0.388719 Sr\n0.158393 0.255569 0.245660 Bi\n0.658393 0.744431 0.754340 Bi\n0.413691 0.316100 0.105380 O\n0.913691 0.683900 0.894620 O\n0.937235 0.287414 0.078974 O\n0.437235 0.712586 0.921026 O\n0.892156 0.186994 0.373013 O\n0.392156 0.813006 0.626987 O\n0.378642 0.237947 0.416583 O\n0.878642 0.762053 0.583417 O\n0.120637 0.557705 0.337784 O\n0.620637 0.442295 0.662216 O\n0.198118 0.955551 0.161993 O\n0.698118 0.044449 0.838007 O\n0.107605 0.183163 0.687447 O\n0.607605 0.816837 0.312553 O\n",
"nsites": 24,
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{
"id": "mp-560340",
"created_at": "2022-09-04T14:47:21.512145Z",
"structure_string": "La4 Pd4 O10\n1.0\n6.753072 0.000000 0.000000\n0.000000 6.753072 0.000000\n0.000000 0.000000 5.666664\nLa Pd O\n4 4 10\ndirect\n0.738032 0.107592 0.500000 La\n0.892408 0.738032 0.000000 La\n0.261968 0.892408 0.500000 La\n0.107592 0.261968 0.000000 La\n0.594598 0.308990 0.000000 Pd\n0.308990 0.405402 0.500000 Pd\n0.405402 0.691010 0.000000 Pd\n0.691010 0.594598 0.500000 Pd\n0.596623 0.800708 0.257438 O\n0.800708 0.403377 0.757438 O\n0.403377 0.199292 0.742562 O\n0.403377 0.199292 0.257438 O\n0.000000 0.000000 0.750000 O\n0.199292 0.596623 0.757438 O\n0.199292 0.596623 0.242562 O\n0.596623 0.800708 0.742562 O\n0.000000 0.000000 0.250000 O\n0.800708 0.403377 0.242562 O\n",
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{
"id": "mp-1223049",
"created_at": "2022-09-04T14:47:21.515559Z",
"structure_string": "La4 Br3 Cl1 O4\n1.0\n4.159519 -7.446866 0.000000\n4.159519 7.446866 0.000000\n0.000000 0.000000 4.158477\nLa Br Cl O\n4 3 1 4\ndirect\n0.829763 0.170237 0.000000 La\n0.329516 0.670484 0.000000 La\n0.916284 0.579555 0.500000 La\n0.420445 0.083716 0.500000 La\n0.067545 0.932455 0.000000 Br\n0.185975 0.319216 0.500000 Br\n0.680784 0.814025 0.500000 Br\n0.572084 0.427916 0.000000 Cl\n0.749476 0.250524 0.500000 O\n0.249345 0.750655 0.500000 O\n0.500373 0.001590 0.000000 O\n0.998410 0.499627 0.000000 O\n",
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{
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"structure_string": "Sr1 La1 Mn1 O3\n1.0\n-3.585381 0.000000 -0.006721\n0.000000 -3.960225 0.000000\n-1.780651 -1.980113 6.662381\nSr La Mn O\n1 1 1 3\ndirect\n0.338243 0.354259 0.291483 Sr\n0.626308 0.647719 0.704561 La\n0.978565 0.995826 0.008347 Mn\n0.169511 0.169461 0.661078 O\n0.818864 0.824720 0.350560 O\n0.983508 0.508015 0.983970 O\n",
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{
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"formula_full": "Ce2 Al40 V4",
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{
"id": "mp-560673",
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"structure_string": "Na2 Pr4 S4 O16 F6\n1.0\n3.497283 7.915639 0.000000\n-3.497283 7.915639 0.000000\n0.000000 3.609894 7.478219\nNa Pr S O F\n2 4 4 16 6\ndirect\n0.617803 0.382197 0.250000 Na\n0.382197 0.617803 0.750000 Na\n0.789008 0.971301 0.962138 Pr\n0.028699 0.210992 0.537862 Pr\n0.971301 0.789008 0.462138 Pr\n0.210992 0.028699 0.037862 Pr\n0.407563 0.233973 0.661211 S\n0.592437 0.766027 0.338789 S\n0.766027 0.592437 0.838789 S\n0.233973 0.407563 0.161211 S\n0.845788 0.543606 0.655549 O\n0.394302 0.869937 0.473730 O\n0.869937 0.394302 0.973730 O\n0.823477 0.727453 0.820519 O\n0.707308 0.532569 0.388817 O\n0.154212 0.456394 0.344451 O\n0.456394 0.154212 0.844451 O\n0.292692 0.467431 0.611183 O\n0.130063 0.605698 0.026270 O\n0.727453 0.823477 0.320519 O\n0.467431 0.292692 0.111183 O\n0.272547 0.176523 0.679481 O\n0.532569 0.707308 0.888817 O\n0.605698 0.130063 0.526270 O\n0.543606 0.845788 0.155549 O\n0.176523 0.272547 0.179481 O\n0.897377 0.012415 0.160092 F\n0.012415 0.897377 0.660092 F\n0.102623 0.987585 0.839908 F\n0.987585 0.102623 0.339908 F\n0.283868 0.716132 0.250000 F\n0.716132 0.283868 0.750000 F\n",
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{
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"structure_string": "Cs2 Li1 Tm2 W4 O16\n1.0\n4.064733 5.338492 -3.405955\n4.323782 -5.571554 -3.462916\n0.015831 -0.039538 -7.506247\nCs Li Tm W O\n2 1 2 4 16\ndirect\n0.784946 0.228522 0.729137 Cs\n0.214460 0.809172 0.245019 Cs\n0.937154 0.931684 0.895171 Li\n0.266995 0.786333 0.732677 Tm\n0.757227 0.197790 0.251898 Tm\n0.294815 0.310389 0.710016 W\n0.704993 0.671592 0.309053 W\n0.693735 0.703331 0.800018 W\n0.309556 0.302378 0.209314 W\n0.371665 0.252883 0.934328 O\n0.633228 0.754677 0.051161 O\n0.758881 0.628668 0.569774 O\n0.242834 0.374940 0.435464 O\n0.611138 0.922060 0.637609 O\n0.384807 0.076615 0.362178 O\n0.042523 0.341357 0.882895 O\n0.960345 0.660499 0.106811 O\n0.400211 0.615000 0.549158 O\n0.588341 0.361331 0.464688 O\n0.369644 0.582234 0.968132 O\n0.633155 0.417119 0.031656 O\n0.217075 0.048410 0.789752 O\n0.770608 0.952937 0.193937 O\n0.971097 0.793687 0.699193 O\n0.038899 0.218059 0.298101 O\n",
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{
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}