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{
"id": "mp-1193713",
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"structure_string": "K4 Te2 S2 O20\n1.0\n6.252156 0.000000 0.000000\n2.804639 6.359489 0.000000\n1.801007 1.640860 12.440308\nK Te S O\n4 2 2 20\ndirect\n0.919047 0.904636 0.353506 K\n0.080953 0.095364 0.646494 K\n0.685759 0.602946 0.138980 K\n0.314241 0.397054 0.861020 K\n0.000000 0.000000 0.000000 Te\n0.500000 0.500000 0.500000 Te\n0.250994 0.294033 0.248300 S\n0.749006 0.705967 0.751700 S\n0.915031 0.303005 0.987301 O\n0.084969 0.696995 0.012699 O\n0.282507 0.921778 0.070998 O\n0.717493 0.078222 0.929002 O\n0.838995 0.938739 0.135166 O\n0.161005 0.061261 0.864834 O\n0.789251 0.276418 0.461306 O\n0.210749 0.723582 0.538694 O\n0.704524 0.654463 0.485856 O\n0.295476 0.345537 0.514144 O\n0.472441 0.642158 0.354480 O\n0.527559 0.357842 0.645520 O\n0.405256 0.352466 0.158276 O\n0.594744 0.647534 0.841724 O\n0.411260 0.147825 0.329851 O\n0.588740 0.852175 0.670149 O\n0.111942 0.191240 0.212552 O\n0.888058 0.808760 0.787448 O\n0.084546 0.493112 0.288558 O\n0.915454 0.506888 0.711442 O\n",
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{
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"structure_string": "Li2 Sn2 P6 O18\n1.0\n6.862799 0.000000 0.000000\n0.960144 7.270658 0.000000\n1.405754 0.645019 7.360720\nLi Sn P O\n2 2 6 18\ndirect\n0.447642 0.826521 0.823516 Li\n0.552358 0.173479 0.176484 Li\n0.948734 0.766303 0.853852 Sn\n0.051266 0.233697 0.146148 Sn\n0.769281 0.839655 0.441845 P\n0.152437 0.719831 0.224455 P\n0.586842 0.614374 0.217123 P\n0.413158 0.385626 0.782877 P\n0.847563 0.280169 0.775545 P\n0.230719 0.160345 0.558155 P\n0.269065 0.989975 0.679405 O\n0.711912 0.839861 0.646046 O\n0.175871 0.887899 0.090466 O\n0.633321 0.748441 0.049569 O\n0.008957 0.771807 0.413171 O\n0.678840 0.667192 0.384431 O\n0.351992 0.654023 0.304192 O\n0.360351 0.587315 0.798274 O\n0.927180 0.437241 0.843396 O\n0.072820 0.562759 0.156604 O\n0.639649 0.412685 0.201726 O\n0.648008 0.345977 0.695808 O\n0.321160 0.332808 0.615569 O\n0.991043 0.228193 0.586829 O\n0.366679 0.251559 0.950431 O\n0.824129 0.112101 0.909534 O\n0.288088 0.160139 0.353954 O\n0.730935 0.010025 0.320595 O\n",
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"formula_full": "Li2 Sn2 P6 O18",
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"spacegroup": 2
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{
"id": "mp-1096829",
"created_at": "2022-09-04T14:47:39.542622Z",
"structure_string": "B2 Pt2\n1.0\n1.614714 -2.796766 0.000000\n1.614714 2.796766 0.000000\n0.000000 0.000000 5.261273\nB Pt\n2 2\ndirect\n0.333333 0.666667 0.250000 B\n0.666667 0.333333 0.750000 B\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "mp-1202500",
"created_at": "2022-09-04T14:47:39.681594Z",
"structure_string": "Nd4 H12 C4 S4 O28\n1.0\n7.026366 0.000000 0.000000\n0.000000 7.026366 0.000000\n0.000000 0.000000 11.929341\nNd H C S O\n4 12 4 4 28\ndirect\n0.115177 0.371740 0.246568 Nd\n0.884823 0.628260 0.746568 Nd\n0.371740 0.884823 0.496568 Nd\n0.628260 0.115177 0.996568 Nd\n0.031294 0.867644 0.207429 H\n0.968706 0.132356 0.707429 H\n0.867644 0.968706 0.457429 H\n0.132356 0.031294 0.957429 H\n0.368038 0.539826 0.056162 H\n0.631962 0.460174 0.556162 H\n0.539826 0.631962 0.306162 H\n0.460174 0.368038 0.806162 H\n0.154743 0.596353 0.024344 H\n0.845257 0.403647 0.524344 H\n0.596353 0.845257 0.274344 H\n0.403647 0.154743 0.774344 H\n0.116147 0.870002 0.285061 C\n0.883853 0.129998 0.785061 C\n0.870002 0.883853 0.535061 C\n0.129998 0.116147 0.035061 C\n0.612339 0.231222 0.303675 S\n0.387661 0.768778 0.803675 S\n0.231222 0.387661 0.553675 S\n0.768778 0.612339 0.053675 S\n0.167410 0.030365 0.326043 O\n0.832590 0.969635 0.826043 O\n0.030365 0.832590 0.576043 O\n0.969635 0.167410 0.076043 O\n0.103799 0.377588 0.454281 O\n0.896201 0.622412 0.954281 O\n0.377588 0.896201 0.704281 O\n0.622412 0.103799 0.204281 O\n0.567706 0.116753 0.403868 O\n0.432294 0.883247 0.903868 O\n0.116753 0.432294 0.653868 O\n0.883247 0.567706 0.153868 O\n0.797770 0.324755 0.322711 O\n0.202230 0.675245 0.822711 O\n0.324755 0.202230 0.572711 O\n0.675245 0.797770 0.072711 O\n0.460906 0.379162 0.286335 O\n0.539094 0.620838 0.786335 O\n0.379162 0.539094 0.536335 O\n0.620838 0.460906 0.036335 O\n0.157474 0.713960 0.332216 O\n0.842526 0.286040 0.832216 O\n0.713960 0.842526 0.582216 O\n0.286040 0.157474 0.082216 O\n0.240776 0.566270 0.086826 O\n0.759224 0.433730 0.586826 O\n0.566270 0.759224 0.336826 O\n0.433730 0.240776 0.836826 O\n",
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"formula_full": "Nd4 H12 C4 S4 O28",
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{
"id": "mp-1228703",
"created_at": "2022-09-04T14:47:39.770400Z",
"structure_string": "B2 Sb2 Pb2 S8\n1.0\n5.875030 0.000000 -1.916503\n0.000000 6.265925 0.000000\n0.012563 0.000000 9.572137\nB Sb Pb S\n2 2 2 8\ndirect\n0.169403 0.250003 0.198887 B\n0.830597 0.750003 0.801113 B\n0.690131 0.249998 0.834458 Sb\n0.309869 0.749998 0.165542 Sb\n0.729226 0.301636 0.438146 Pb\n0.270774 0.801636 0.561854 Pb\n0.405611 0.243226 0.585029 S\n0.594389 0.743226 0.414971 S\n0.021744 0.494530 0.215094 S\n0.978256 0.994530 0.784906 S\n0.975955 0.504705 0.781738 S\n0.024045 0.004705 0.218262 S\n0.433994 0.248102 0.156101 S\n0.566006 0.748102 0.843899 S\n",
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"density": 4.409238874201632,
"density_atomic": 0.03971348053410487,
"volume": 352.52513281924956,
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"formula_full": "B2 Sb2 Pb2 S8",
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{
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"created_at": "2022-09-04T14:47:39.862786Z",
"structure_string": "Li4 V1 Cr3 O8\n1.0\n2.984132 5.154381 0.000000\n-2.984132 5.154381 0.000000\n0.000000 1.712626 4.850420\nLi V Cr O\n4 1 3 8\ndirect\n0.750790 0.750790 0.497893 Li\n0.249210 0.249210 0.502107 Li\n0.247962 0.752038 0.500000 Li\n0.752038 0.247962 0.500000 Li\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.000000 0.000000 0.000000 Cr\n0.629996 0.629996 0.225691 O\n0.871984 0.368891 0.774656 O\n0.129646 0.129646 0.224289 O\n0.368891 0.871984 0.774656 O\n0.128016 0.631109 0.225344 O\n0.370004 0.370004 0.774309 O\n0.631109 0.128016 0.225344 O\n0.870354 0.870354 0.775711 O\n",
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"formula_full": "Li4 V1 Cr3 O8",
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{
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"structure_string": "Sr4 Y2 Co2 Cu4 O14\n1.0\n5.313119 -0.015987 -1.263046\n-0.279128 5.312492 -1.350023\n0.086788 0.251695 12.212700\nSr Y Co Cu O\n4 2 2 4 14\ndirect\n0.160333 0.163323 0.302059 Sr\n0.358273 0.361892 0.696674 Sr\n0.641727 0.638108 0.303326 Sr\n0.839667 0.836677 0.697941 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.000000 Y\n0.182789 0.807018 0.499768 Co\n0.817211 0.192982 0.500232 Co\n0.072487 0.573358 0.144797 Cu\n0.424747 0.926727 0.852615 Cu\n0.575253 0.073273 0.147385 Cu\n0.927513 0.426642 0.855203 Cu\n0.184642 0.186158 0.871794 O\n0.187034 0.687036 0.875868 O\n0.176607 0.164512 0.499420 O\n0.186536 0.647584 0.351794 O\n0.333834 0.796205 0.647982 O\n0.311185 0.311659 0.122285 O\n0.314138 0.813881 0.127771 O\n0.685862 0.186119 0.872229 O\n0.688815 0.688341 0.877715 O\n0.666166 0.203795 0.352018 O\n0.813464 0.352416 0.648206 O\n0.823393 0.835488 0.500580 O\n0.812966 0.312964 0.124132 O\n0.815358 0.813842 0.128206 O\n",
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{
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{
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"structure_string": "Ca4 Co2 W2 O12\n1.0\n5.468695 0.000148 -0.024675\n0.000139 5.656917 0.000006\n-0.010218 0.000001 7.829815\nCa Co W O\n4 2 2 12\ndirect\n0.986133 0.055525 0.253157 Ca\n0.513879 0.555531 0.246834 Ca\n0.013868 0.944474 0.746844 Ca\n0.486119 0.444467 0.753167 Ca\n0.499999 0.000000 0.000000 Co\n0.000000 0.499999 0.500000 Co\n0.499997 0.000002 0.499997 W\n0.000008 0.500001 0.000000 W\n0.687629 0.284066 0.445362 O\n0.812353 0.784066 0.054637 O\n0.312374 0.715935 0.554641 O\n0.187648 0.215937 0.945359 O\n0.210648 0.193156 0.545790 O\n0.289323 0.693165 0.954209 O\n0.789354 0.806842 0.454212 O\n0.710671 0.306834 0.045787 O\n0.096496 0.466574 0.239622 O\n0.403518 0.966573 0.260376 O\n0.596482 0.033428 0.739628 O\n0.903504 0.533426 0.760378 O\n",
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{
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"structure_string": "Ce4 Se8\n1.0\n2.048896 -3.548793 0.000000\n2.048896 3.548793 0.000000\n0.000000 0.000000 26.813807\nCe Se\n4 8\ndirect\n0.666667 0.333333 0.000000 Ce\n0.333333 0.666667 0.500000 Ce\n0.333333 0.666667 0.750008 Ce\n0.333333 0.666667 0.249992 Ce\n0.333333 0.666667 0.936696 Se\n0.333333 0.666667 0.063304 Se\n0.000000 0.000000 0.813196 Se\n0.000000 0.000000 0.186804 Se\n0.000000 0.000000 0.686698 Se\n0.000000 0.000000 0.313302 Se\n0.666667 0.333333 0.563405 Se\n0.666667 0.333333 0.436595 Se\n",
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