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{
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{
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{
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{
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{
"id": "mp-1302566",
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"structure_string": "Cr4 O4\n1.0\n2.968000 -0.608204 -0.653251\n-1.028149 6.194536 2.099425\n1.804954 1.556632 5.914094\nCr O\n4 4\ndirect\n0.600510 0.500522 0.899903 Cr\n0.099754 0.499773 0.400033 Cr\n0.100230 0.000191 0.900225 Cr\n0.599852 0.000069 0.399886 Cr\n0.995296 0.392920 0.146010 O\n0.494976 0.892604 0.146349 O\n0.704524 0.106857 0.653969 O\n0.204757 0.607168 0.653626 O\n",
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{
"id": "mp-1233748",
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"structure_string": "Sr2 Ca1 V2 Si4 O14\n1.0\n5.253572 0.000000 -2.102250\n0.000000 7.280255 0.000000\n-0.309246 0.000000 8.136514\nSr Ca V Si O\n2 1 2 4 14\ndirect\n0.226502 0.750000 0.428865 Sr\n0.792322 0.250000 0.652605 Sr\n0.739142 0.750000 0.006009 Ca\n0.901892 0.750000 0.734866 V\n0.092279 0.250000 0.214664 V\n0.375499 0.468185 0.781986 Si\n0.585218 0.518802 0.220769 Si\n0.585218 0.981198 0.220769 Si\n0.375499 0.031815 0.781986 Si\n0.610505 0.750000 0.261174 O\n0.359616 0.250000 0.724471 O\n0.464606 0.496150 0.997925 O\n0.464606 0.003850 0.997925 O\n0.591609 0.565687 0.724351 O\n0.887629 0.464221 0.277770 O\n0.410388 0.058518 0.318537 O\n0.088512 0.949752 0.664488 O\n0.974313 0.250000 0.973455 O\n0.084009 0.750000 0.973911 O\n0.887629 0.035779 0.277770 O\n0.591609 0.934313 0.724351 O\n0.088512 0.550248 0.664488 O\n0.410388 0.441482 0.318537 O\n",
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{
"id": "mp-1208924",
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"structure_string": "Ti16 S96 Cl24 O4\n1.0\n0.000000 -9.663760 -0.000000\n-28.798590 0.000000 0.000000\n0.000000 0.000000 -14.134362\nTi S Cl O\n16 96 24 4\ndirect\n0.510156 0.553401 0.724809 Ti\n0.489844 0.446599 0.275191 Ti\n0.989844 0.946599 0.224809 Ti\n0.510156 0.446599 0.775191 Ti\n0.010156 0.053401 0.775191 Ti\n0.489844 0.553401 0.224809 Ti\n0.989844 0.053401 0.275191 Ti\n0.010156 0.946599 0.724809 Ti\n0.744824 0.971532 0.845003 Ti\n0.255176 0.028468 0.154997 Ti\n0.755176 0.528468 0.345003 Ti\n0.744824 0.028468 0.654997 Ti\n0.244824 0.471532 0.654997 Ti\n0.255176 0.971532 0.345003 Ti\n0.755176 0.471532 0.154997 Ti\n0.244824 0.528468 0.845003 Ti\n0.952862 0.657873 0.828189 S\n0.047138 0.342127 0.171811 S\n0.547138 0.842127 0.328189 S\n0.952862 0.342127 0.671811 S\n0.452862 0.157873 0.671811 S\n0.047138 0.657873 0.328189 S\n0.547138 0.157873 0.171811 S\n0.452862 0.842127 0.828189 S\n0.825020 0.628444 0.928133 S\n0.174980 0.371556 0.071867 S\n0.674980 0.871556 0.428133 S\n0.825020 0.371556 0.571867 S\n0.325020 0.128444 0.571867 S\n0.174980 0.628444 0.428133 S\n0.674980 0.128444 0.071867 S\n0.325020 0.871556 0.928133 S\n0.946362 0.917746 0.879054 S\n0.053638 0.082254 0.120946 S\n0.553638 0.582254 0.379054 S\n0.946362 0.082254 0.620946 S\n0.446362 0.417746 0.620946 S\n0.053638 0.917746 0.379054 S\n0.553638 0.417746 0.120946 S\n0.446362 0.582254 0.879054 S\n0.866435 0.719191 0.781213 S\n0.133565 0.280809 0.218787 S\n0.633565 0.780809 0.281213 S\n0.866435 0.280809 0.718787 S\n0.366435 0.219191 0.718787 S\n0.133565 0.719191 0.281213 S\n0.633565 0.219191 0.218787 S\n0.366435 0.780809 0.781213 S\n0.598989 0.855360 0.560439 S\n0.401011 0.144640 0.439561 S\n0.901011 0.644640 0.060439 S\n0.598989 0.144640 0.939561 S\n0.098989 0.355360 0.939561 S\n0.401011 0.855360 0.060439 S\n0.901011 0.355360 0.439561 S\n0.098989 0.644640 0.560439 S\n0.576507 0.968066 0.718440 S\n0.423493 0.031934 0.281560 S\n0.923493 0.531934 0.218440 S\n0.576507 0.031934 0.781560 S\n0.076507 0.468066 0.781560 S\n0.423493 0.968066 0.218440 S\n0.923493 0.468066 0.281560 S\n0.076507 0.531934 0.718440 S\n0.595974 0.739165 0.585695 S\n0.404026 0.260835 0.414305 S\n0.904026 0.760835 0.085695 S\n0.595974 0.260835 0.914305 S\n0.095974 0.239165 0.914305 S\n0.404026 0.739165 0.085695 S\n0.904026 0.239165 0.414305 S\n0.095974 0.760835 0.585695 S\n0.677011 0.510973 0.818825 S\n0.322989 0.489027 0.181175 S\n0.822989 0.989027 0.318825 S\n0.677011 0.489027 0.681175 S\n0.177011 0.010973 0.681175 S\n0.322989 0.510973 0.318825 S\n0.822989 0.010973 0.181175 S\n0.177011 0.989027 0.818825 S\n0.808034 0.897284 0.777868 S\n0.191966 0.102716 0.222132 S\n0.691966 0.602716 0.277868 S\n0.808034 0.102716 0.722132 S\n0.308034 0.397284 0.722132 S\n0.191966 0.897284 0.277868 S\n0.691966 0.397284 0.222132 S\n0.308034 0.602716 0.777868 S\n0.827783 0.791901 0.965225 S\n0.172217 0.208099 0.034775 S\n0.672217 0.708099 0.465225 S\n0.827783 0.208099 0.534775 S\n0.327783 0.291901 0.534775 S\n0.172217 0.791901 0.465225 S\n0.672217 0.291901 0.034775 S\n0.327783 0.708099 0.965225 S\n0.706323 0.799009 0.612641 S\n0.293677 0.200991 0.387359 S\n0.793677 0.700991 0.112641 S\n0.706323 0.200991 0.887359 S\n0.206323 0.299009 0.887359 S\n0.293677 0.799009 0.112641 S\n0.793677 0.299009 0.387359 S\n0.206323 0.700991 0.612641 S\n0.953322 0.774306 0.852954 S\n0.046678 0.225694 0.147046 S\n0.546678 0.725694 0.352954 S\n0.953322 0.225694 0.647046 S\n0.453322 0.274306 0.647046 S\n0.046678 0.774306 0.352954 S\n0.546678 0.274306 0.147046 S\n0.453322 0.725694 0.852954 S\n0.624065 0.951456 0.972798 Cl\n0.375935 0.048544 0.027202 Cl\n0.875935 0.548544 0.472798 Cl\n0.624065 0.048544 0.527202 Cl\n0.124065 0.451456 0.527202 Cl\n0.375935 0.951456 0.472798 Cl\n0.875935 0.451456 0.027202 Cl\n0.124065 0.548544 0.972798 Cl\n0.874957 0.962447 0.571267 Cl\n0.125043 0.037553 0.428733 Cl\n0.625043 0.537553 0.071267 Cl\n0.874957 0.037553 0.928733 Cl\n0.374957 0.462447 0.928733 Cl\n0.125043 0.962447 0.071267 Cl\n0.625043 0.462447 0.428733 Cl\n0.374957 0.537553 0.571267 Cl\n0.637407 0.611341 0.666368 Cl\n0.362593 0.388659 0.333632 Cl\n0.862593 0.888659 0.166368 Cl\n0.637407 0.388659 0.833632 Cl\n0.137407 0.111341 0.833632 Cl\n0.362593 0.611341 0.166368 Cl\n0.862593 0.111341 0.333632 Cl\n0.137407 0.888659 0.666368 Cl\n0.877265 0.000000 0.750000 O\n0.122735 0.000000 0.250000 O\n0.622735 0.500000 0.250000 O\n0.377265 0.500000 0.750000 O\n",
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{
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{
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"structure_string": "Mn3 H2 O6\n1.0\n1.476075 7.496495 0.000000\n-1.476075 7.496495 0.000000\n0.000000 0.029062 4.673102\nMn H O\n3 2 6\ndirect\n0.000000 0.000000 0.500000 Mn\n0.644281 0.644281 0.030601 Mn\n0.355719 0.355719 0.969399 Mn\n0.820544 0.820544 0.397398 H\n0.179456 0.179456 0.602602 H\n0.456115 0.456115 0.273251 O\n0.543885 0.543885 0.726749 O\n0.884359 0.884359 0.713089 O\n0.115641 0.115641 0.286911 O\n0.796858 0.796858 0.197140 O\n0.203142 0.203142 0.802860 O\n",
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"elements": [
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],
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"density": 4.220036158582987,
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"formula_full": "Mn3 H2 O6",
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{
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"elements": [
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{
"id": "mp-1219487",
"created_at": "2022-09-04T14:48:29.290212Z",
"structure_string": "Sb4 Te4 Pt4\n1.0\n6.650080 0.000000 0.000000\n0.000000 6.650080 0.000000\n0.000000 0.000000 6.650080\nSb Te Pt\n4 4 4\ndirect\n0.128685 0.871315 0.371315 Sb\n0.871315 0.371315 0.128685 Sb\n0.371315 0.128685 0.871315 Sb\n0.628685 0.628685 0.628685 Sb\n0.872523 0.127477 0.627477 Te\n0.127477 0.627477 0.872523 Te\n0.627477 0.872523 0.127477 Te\n0.372523 0.372523 0.372523 Te\n0.504701 0.495299 0.995299 Pt\n0.495299 0.995299 0.504701 Pt\n0.995299 0.504701 0.495299 Pt\n0.004701 0.004701 0.004701 Pt\n",
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],
"chemical_system": "Pt-Sb-Te",
"density": 10.037961526512978,
"density_atomic": 0.04080380246578817,
"volume": 294.09023852768047,
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"formula_full": "Sb4 Te4 Pt4",
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"spacegroup": 198
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{
"id": "mp-1228900",
"created_at": "2022-09-04T14:48:29.296226Z",
"structure_string": "Al3 Ge3 Mo3\n1.0\n2.424777 -4.199837 0.000000\n2.424777 4.199837 0.000000\n0.000000 0.000000 6.731531\nAl Ge Mo\n3 3 3\ndirect\n0.663586 0.831793 0.000000 Al\n0.168207 0.831793 0.666667 Al\n0.168207 0.336414 0.333333 Al\n0.004248 0.502124 0.000000 Ge\n0.497876 0.502124 0.666667 Ge\n0.497876 0.995752 0.333333 Ge\n0.335869 0.167935 0.000000 Mo\n0.832065 0.167935 0.666667 Mo\n0.832065 0.664131 0.333333 Mo\n",
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"formula_full": "Al3 Ge3 Mo3",
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}