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{
"id": "mp-1184705",
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{
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"formula_full": "Ta8 V4 O24",
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{
"id": "mp-1185756",
"created_at": "2022-09-04T14:43:19.179116Z",
"structure_string": "Mg4 Ag2\n1.0\n3.238766 0.000000 0.000000\n-1.619383 2.293526 4.805523\n0.000000 -5.242467 5.150014\nMg Ag\n4 2\ndirect\n0.337175 0.674348 0.316384 Mg\n0.051714 0.103428 0.405837 Mg\n0.358388 0.716775 0.754115 Mg\n0.030502 0.061004 0.968106 Mg\n0.721312 0.442624 0.080586 Ag\n0.667575 0.335154 0.641636 Ag\n",
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{
"id": "mp-554819",
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"structure_string": "Mg2 P8 Cl20 O12\n1.0\n10.135494 0.000000 0.000000\n-4.951195 10.147529 0.000000\n-1.282677 -4.672981 10.535909\nMg P Cl O\n2 8 20 12\ndirect\n0.760965 0.993286 0.058501 Mg\n0.239035 0.006714 0.941499 Mg\n0.984022 0.843626 0.082779 P\n0.015978 0.156374 0.917221 P\n0.398717 0.784564 0.850186 P\n0.440456 0.173257 0.751927 P\n0.910173 0.717178 0.671992 P\n0.601283 0.215436 0.149814 P\n0.089827 0.282822 0.328008 P\n0.559544 0.826743 0.248073 P\n0.377114 0.108850 0.563003 Cl\n0.529694 0.628319 0.178594 Cl\n0.698233 0.678252 0.670088 Cl\n0.650280 0.199567 0.794031 Cl\n0.349720 0.800433 0.205969 Cl\n0.925387 0.632143 0.998172 Cl\n0.064631 0.259647 0.489775 Cl\n0.096065 0.468649 0.352772 Cl\n0.396013 0.764451 0.667002 Cl\n0.301767 0.321748 0.329912 Cl\n0.730737 0.426391 0.177781 Cl\n0.975732 0.124364 0.728494 Cl\n0.269263 0.573609 0.822219 Cl\n0.622886 0.891150 0.436997 Cl\n0.603987 0.235549 0.332998 Cl\n0.470306 0.371681 0.821406 Cl\n0.935369 0.740353 0.510225 Cl\n0.903935 0.531351 0.647228 Cl\n0.074613 0.367857 0.001828 Cl\n0.024268 0.875636 0.271506 Cl\n0.028633 0.841128 0.786131 O\n0.134697 0.933984 0.066521 O\n0.329870 0.072117 0.795012 O\n0.670130 0.927883 0.204988 O\n0.865303 0.066016 0.933479 O\n0.971367 0.158872 0.213869 O\n0.686772 0.140197 0.104473 O\n0.154333 0.145493 0.955308 O\n0.845667 0.854507 0.044692 O\n0.441630 0.163734 0.077778 O\n0.558370 0.836266 0.922222 O\n0.313228 0.859803 0.895527 O\n",
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"elements": [
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"density_atomic": 0.03875895483597217,
"volume": 1083.6205511150629,
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"formula_full": "Mg2 P8 Cl20 O12",
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},
{
"id": "mp-1100528",
"created_at": "2022-09-04T14:43:19.117483Z",
"structure_string": "Li9 Mn7 O16\n1.0\n2.549227 0.000000 -1.316433\n1.587830 39.323848 -0.051681\n-0.022556 0.038417 3.082783\nLi Mn O\n9 7 16\ndirect\n0.239570 0.065972 0.545111 Li\n0.760430 0.184028 0.704889 Li\n0.250422 0.312227 0.813070 Li\n0.750189 0.437479 0.937857 Li\n0.250045 0.562505 0.062595 Li\n0.749955 0.687495 0.187405 Li\n0.249811 0.812521 0.312143 Li\n0.749578 0.937773 0.436930 Li\n0.500000 0.125000 0.125000 Li\n0.996591 0.000073 0.993256 Mn\n0.003409 0.249927 0.256744 Mn\n0.500177 0.375031 0.375385 Mn\n0.000021 0.499961 0.500004 Mn\n0.500000 0.625000 0.625000 Mn\n0.999979 0.750039 0.749996 Mn\n0.499823 0.874969 0.874615 Mn\n0.619360 0.027198 0.265919 O\n0.120632 0.156459 0.397723 O\n0.612678 0.279153 0.504509 O\n0.109512 0.404158 0.623181 O\n0.609801 0.529007 0.748610 O\n0.109643 0.654004 0.873289 O\n0.609748 0.778854 0.998349 O\n0.110523 0.903738 0.124785 O\n0.879368 0.093541 0.852277 O\n0.380640 0.222802 0.984081 O\n0.889477 0.346262 0.125215 O\n0.390252 0.471146 0.251651 O\n0.890357 0.595996 0.376711 O\n0.390199 0.720993 0.501390 O\n0.890488 0.845842 0.626819 O\n0.387322 0.970847 0.745491 O\n",
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"formula_full": "Li9 Mn7 O16",
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{
"id": "mp-1110944",
"created_at": "2022-09-04T14:43:19.136506Z",
"structure_string": "K2 Pr1 Cu1 I6\n1.0\n0.000000 5.990722 5.990722\n5.990722 0.000000 5.990722\n5.990722 5.990722 0.000000\nK Pr Cu I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Cu\n0.760458 0.239542 0.239542 I\n0.239542 0.239542 0.760458 I\n0.239542 0.760458 0.760458 I\n0.239542 0.760458 0.239542 I\n0.760458 0.239542 0.760458 I\n0.760458 0.760458 0.239542 I\n",
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{
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"structure_string": "Li16 V8 F32\n1.0\n6.362563 0.000000 0.000000\n0.000000 10.457407 0.000000\n0.000000 6.073826 9.701822\nLi V F\n16 8 32\ndirect\n0.463334 0.656231 0.925043 Li\n0.032040 0.843627 0.074646 Li\n0.961856 0.656263 0.923535 Li\n0.535220 0.843391 0.071165 Li\n0.036666 0.656231 0.425043 Li\n0.467960 0.843627 0.574646 Li\n0.538144 0.656263 0.423535 Li\n0.964780 0.843391 0.571165 Li\n0.035220 0.156609 0.428835 Li\n0.461856 0.343737 0.576465 Li\n0.532040 0.156373 0.425354 Li\n0.963334 0.343769 0.574957 Li\n0.464780 0.156609 0.928835 Li\n0.038144 0.343737 0.076465 Li\n0.967960 0.156373 0.925354 Li\n0.536666 0.343769 0.074957 Li\n0.217396 0.999554 0.748879 V\n0.282604 0.999554 0.248879 V\n0.276925 0.500657 0.248419 V\n0.776925 0.499343 0.251581 V\n0.223075 0.500657 0.748419 V\n0.723075 0.499343 0.751581 V\n0.717396 0.000446 0.751121 V\n0.782604 0.000446 0.251121 V\n0.469988 0.998697 0.622910 F\n0.466563 0.004346 0.875509 F\n0.212015 0.764170 0.868826 F\n0.711351 0.765636 0.883849 F\n0.030012 0.998697 0.122910 F\n0.033437 0.004346 0.375509 F\n0.284029 0.736099 0.128754 F\n0.287985 0.764170 0.368826 F\n0.527400 0.498812 0.122902 F\n0.788649 0.765636 0.383849 F\n0.784010 0.734797 0.144642 F\n0.024299 0.501019 0.121906 F\n0.524299 0.498981 0.378094 F\n0.215971 0.736099 0.628754 F\n0.284010 0.265203 0.355358 F\n0.027400 0.501188 0.377098 F\n0.972600 0.498812 0.622902 F\n0.715990 0.734797 0.644642 F\n0.784029 0.263901 0.371246 F\n0.475701 0.501019 0.621906 F\n0.975701 0.498981 0.878094 F\n0.215990 0.265203 0.855358 F\n0.211351 0.234364 0.616151 F\n0.472600 0.501188 0.877098 F\n0.712015 0.235830 0.631174 F\n0.715971 0.263901 0.871246 F\n0.966563 0.995654 0.624491 F\n0.969988 0.001303 0.877090 F\n0.288649 0.234364 0.116151 F\n0.787985 0.235830 0.131174 F\n0.533437 0.995654 0.124491 F\n0.530012 0.001303 0.377090 F\n",
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{
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"structure_string": "Na24 P8 O32\n1.0\n10.943029 0.000000 0.000000\n0.000000 10.943029 0.000000\n0.000000 0.000000 6.877614\nNa P O\n24 8 32\ndirect\n0.741204 0.283374 0.538207 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.000000 0.500000 0.050791 Na\n0.500000 0.000000 0.949209 Na\n0.500000 0.000000 0.449209 Na\n0.257984 0.964534 0.695584 Na\n0.035466 0.257984 0.304416 Na\n0.964534 0.742016 0.304416 Na\n0.742016 0.035466 0.695584 Na\n0.757984 0.535466 0.804416 Na\n0.242016 0.464534 0.804416 Na\n0.464534 0.757984 0.195584 Na\n0.535466 0.242016 0.195584 Na\n0.216626 0.758796 0.038207 Na\n0.241204 0.216626 0.961793 Na\n0.758796 0.783374 0.961793 Na\n0.783374 0.241204 0.038207 Na\n0.716626 0.741204 0.461793 Na\n0.283374 0.258796 0.461793 Na\n0.258796 0.716626 0.538207 Na\n0.000000 0.500000 0.550791 Na\n0.485217 0.236315 0.730157 P\n0.514783 0.763685 0.730157 P\n0.236315 0.514783 0.269843 P\n0.763685 0.485217 0.269843 P\n0.736315 0.985217 0.230157 P\n0.014783 0.736315 0.769843 P\n0.985217 0.263685 0.769843 P\n0.263685 0.014783 0.230157 P\n0.375067 0.103463 0.203771 O\n0.604795 0.191829 0.832227 O\n0.395205 0.808171 0.832227 O\n0.191829 0.395205 0.167773 O\n0.808171 0.604795 0.167773 O\n0.691829 0.104795 0.332227 O\n0.895205 0.691829 0.667773 O\n0.104795 0.308171 0.667773 O\n0.166178 0.081402 0.358391 O\n0.918598 0.166178 0.641609 O\n0.081402 0.833822 0.641609 O\n0.833822 0.918598 0.358391 O\n0.666178 0.418598 0.141609 O\n0.333822 0.581402 0.141609 O\n0.581402 0.666178 0.858391 O\n0.418598 0.333822 0.858391 O\n0.308171 0.895205 0.332227 O\n0.896537 0.375067 0.796229 O\n0.103463 0.624933 0.796229 O\n0.624933 0.896537 0.203771 O\n0.875067 0.396537 0.296229 O\n0.124933 0.603463 0.296229 O\n0.603463 0.875067 0.703771 O\n0.396537 0.124933 0.703771 O\n0.209023 0.985073 0.027142 O\n0.014927 0.209023 0.972858 O\n0.985073 0.790977 0.972858 O\n0.514927 0.290977 0.527142 O\n0.709023 0.514927 0.472858 O\n0.290977 0.485073 0.472858 O\n0.485073 0.709023 0.527142 O\n0.790977 0.014927 0.027142 O\n",
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{
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