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{
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{
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{
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{
"id": "mp-754051",
"created_at": "2022-09-04T14:43:11.168168Z",
"structure_string": "Li2 Fe2 F6\n1.0\n5.080455 -2.587427 0.000000\n5.080455 2.587427 0.000000\n3.762703 0.000000 4.283440\nLi Fe F\n2 2 6\ndirect\n0.144722 0.144722 0.144722 Li\n0.855278 0.855278 0.855278 Li\n0.346001 0.346001 0.346001 Fe\n0.653999 0.653999 0.653999 Fe\n0.941564 0.243915 0.564691 F\n0.435309 0.058436 0.756085 F\n0.756085 0.435309 0.058436 F\n0.243915 0.564691 0.941564 F\n0.564691 0.941564 0.243915 F\n0.058436 0.756085 0.435309 F\n",
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{
"id": "mp-1208619",
"created_at": "2022-09-04T14:43:11.175330Z",
"structure_string": "Sr2 Li2 Ga2 F12\n1.0\n2.615950 -4.530959 0.000000\n2.615950 4.530959 0.000000\n0.000000 0.000000 10.468016\nSr Li Ga F\n2 2 2 12\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.641111 0.018947 0.645315 F\n0.358889 0.981053 0.354685 F\n0.981053 0.622164 0.645315 F\n0.641111 0.622164 0.854685 F\n0.018947 0.377836 0.354685 F\n0.358889 0.377836 0.145315 F\n0.377836 0.358889 0.645315 F\n0.981053 0.358889 0.854685 F\n0.622164 0.641111 0.354685 F\n0.018947 0.641111 0.145315 F\n0.377836 0.018947 0.854685 F\n0.622164 0.981053 0.145315 F\n",
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"volume": 248.14980862489313,
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"formula_full": "Sr2 Li2 Ga2 F12",
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},
{
"id": "mp-1223697",
"created_at": "2022-09-04T14:43:11.178194Z",
"structure_string": "In1 Ni3 Sb1\n1.0\n-2.090375 -3.621512 0.000000\n-2.090375 3.621512 0.000000\n0.000000 0.000000 -5.225062\nIn Ni Sb\n1 3 1\ndirect\n0.666648 0.333352 0.250000 In\n0.000023 0.999977 0.505053 Ni\n0.000023 0.999977 0.994947 Ni\n0.666662 0.333338 0.750000 Ni\n0.333344 0.666656 0.750000 Sb\n",
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"formula_full": "In1 Ni3 Sb1",
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{
"id": "mp-569563",
"created_at": "2022-09-04T14:43:11.219573Z",
"structure_string": "Ba6 Zr12 Be2 Cl36\n1.0\n18.063567 -4.928116 0.000000\n18.063567 4.928116 0.000000\n16.719075 0.000000 8.429194\nBa Zr Be Cl\n6 12 2 36\ndirect\n0.111393 0.111393 0.111393 Ba\n0.611393 0.611393 0.611393 Ba\n0.888607 0.888607 0.888607 Ba\n0.250000 0.250000 0.250000 Ba\n0.388607 0.388607 0.388607 Ba\n0.750000 0.750000 0.750000 Ba\n0.161778 0.771430 0.991568 Zr\n0.771430 0.991568 0.161778 Zr\n0.661778 0.491568 0.271430 Zr\n0.838222 0.228570 0.008432 Zr\n0.491568 0.271430 0.661778 Zr\n0.991568 0.161778 0.771430 Zr\n0.228570 0.008432 0.838222 Zr\n0.728570 0.338222 0.508432 Zr\n0.008432 0.838222 0.228570 Zr\n0.271430 0.661778 0.491568 Zr\n0.508432 0.728570 0.338222 Zr\n0.338222 0.508432 0.728570 Zr\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.245595 0.425375 0.658504 Cl\n0.864239 0.472139 0.005947 Cl\n0.425375 0.658504 0.245595 Cl\n0.972139 0.364239 0.505947 Cl\n0.692602 0.735704 0.074802 Cl\n0.472139 0.005947 0.864239 Cl\n0.235704 0.192602 0.574802 Cl\n0.925375 0.745595 0.158504 Cl\n0.925198 0.307398 0.264296 Cl\n0.527861 0.994053 0.135761 Cl\n0.005947 0.864239 0.472139 Cl\n0.635761 0.494053 0.027861 Cl\n0.192602 0.574802 0.235704 Cl\n0.735704 0.074802 0.692602 Cl\n0.254405 0.841496 0.074625 Cl\n0.745595 0.158504 0.925375 Cl\n0.307398 0.264296 0.925198 Cl\n0.574625 0.341496 0.754405 Cl\n0.074625 0.254405 0.841496 Cl\n0.754405 0.574625 0.341496 Cl\n0.841496 0.074625 0.254405 Cl\n0.764296 0.807398 0.425198 Cl\n0.158504 0.925375 0.745595 Cl\n0.425198 0.764296 0.807398 Cl\n0.494053 0.027861 0.635761 Cl\n0.807398 0.425198 0.764296 Cl\n0.135761 0.527861 0.994053 Cl\n0.505947 0.972139 0.364239 Cl\n0.341496 0.754405 0.574625 Cl\n0.264296 0.925198 0.307398 Cl\n0.074802 0.692602 0.735704 Cl\n0.574802 0.235704 0.192602 Cl\n0.027861 0.635761 0.494053 Cl\n0.658504 0.245595 0.425375 Cl\n0.994053 0.135761 0.527861 Cl\n0.364239 0.505947 0.972139 Cl\n",
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{
"id": "mp-1195844",
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"structure_string": "Ba6 B12 O22 F4\n1.0\n8.608713 0.000000 0.000000\n0.000000 6.642947 0.000000\n0.000000 1.943677 9.610204\nBa B O F\n6 12 22 4\ndirect\n0.566137 0.506156 0.260729 Ba\n0.066137 0.493844 0.739271 Ba\n0.919844 0.938465 0.041089 Ba\n0.419844 0.061535 0.958911 Ba\n0.912484 0.062399 0.463833 Ba\n0.412484 0.937601 0.536167 Ba\n0.938432 0.578031 0.364070 B\n0.438432 0.421969 0.635930 B\n0.746178 0.495509 0.952111 B\n0.246178 0.504491 0.047889 B\n0.183612 0.787897 0.297371 B\n0.683612 0.212103 0.702629 B\n0.712812 0.582381 0.566412 B\n0.212812 0.417619 0.433588 B\n0.205999 0.190568 0.233888 B\n0.705999 0.809432 0.766112 B\n0.970610 0.408290 0.134801 B\n0.470610 0.591710 0.865199 B\n0.042132 0.212309 0.195385 O\n0.542132 0.787691 0.804615 O\n0.804547 0.677301 0.875828 O\n0.304547 0.322699 0.124172 O\n0.890218 0.505711 0.235078 O\n0.390218 0.494289 0.764922 O\n0.273692 0.615722 0.341613 O\n0.773692 0.384278 0.658387 O\n0.743842 0.761718 0.631319 O\n0.243842 0.238282 0.368681 O\n0.258280 0.969916 0.237417 O\n0.758280 0.030084 0.762583 O\n0.043830 0.441318 0.458385 O\n0.543830 0.558682 0.541615 O\n0.846138 0.359997 0.034459 O\n0.346138 0.640003 0.965541 O\n0.024562 0.782446 0.312833 O\n0.524562 0.217554 0.687167 O\n0.793280 0.621217 0.431061 O\n0.293280 0.378783 0.568939 O\n0.590489 0.446583 0.948187 O\n0.090489 0.553417 0.051813 O\n0.133772 0.130695 0.884615 F\n0.633772 0.869305 0.115385 F\n0.630051 0.142121 0.387770 F\n0.130051 0.857879 0.612230 F\n",
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"formula_full": "Ba6 B12 O22 F4",
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{
"id": "mp-504427",
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"structure_string": "Ti6 Pb2 O14\n1.0\n3.836450 0.000000 0.000000\n0.000000 6.680494 0.000000\n0.000000 1.470359 10.733541\nTi Pb O\n6 2 14\ndirect\n0.250000 0.448858 0.898680 Ti\n0.750000 0.551142 0.101320 Ti\n0.250000 0.305904 0.564169 Ti\n0.750000 0.694096 0.435831 Ti\n0.250000 0.745234 0.656156 Ti\n0.750000 0.254766 0.343844 Ti\n0.250000 0.994973 0.151356 Pb\n0.750000 0.005027 0.848644 Pb\n0.250000 0.523594 0.074077 O\n0.750000 0.476406 0.925923 O\n0.250000 0.256968 0.381341 O\n0.750000 0.743032 0.618659 O\n0.250000 0.645570 0.478421 O\n0.750000 0.354430 0.521579 O\n0.250000 0.170620 0.943162 O\n0.750000 0.829380 0.056838 O\n0.250000 0.045569 0.627864 O\n0.750000 0.954431 0.372136 O\n0.250000 0.435679 0.714478 O\n0.750000 0.564321 0.285522 O\n0.250000 0.752830 0.824109 O\n0.750000 0.247170 0.175891 O\n",
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{
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"structure_string": "Li8 Ti4 Fe4 O16\n1.0\n0.004386 3.396496 -4.824749\n-5.870005 0.027393 0.024199\n-2.871622 8.980346 2.717537\nLi Ti Fe O\n8 4 4 16\ndirect\n0.121367 0.123794 0.250062 Li\n0.621485 0.626352 0.249820 Li\n0.371488 0.876243 0.749856 Li\n0.871427 0.373605 0.749991 Li\n0.259353 0.747532 0.498046 Li\n0.757980 0.253128 0.500991 Li\n0.512075 0.500801 0.998734 Li\n0.005321 0.000573 0.998695 Li\n0.534290 0.999830 0.000018 Ti\n0.033108 0.499689 0.000047 Ti\n0.783447 0.749133 0.501194 Ti\n0.284554 0.250605 0.498988 Ti\n0.120288 0.625680 0.246799 Fe\n0.870892 0.875573 0.746722 Fe\n0.617120 0.124128 0.253582 Fe\n0.366980 0.374200 0.753527 Fe\n0.340665 0.365072 0.283041 O\n0.855863 0.850675 0.283616 O\n0.606193 0.100790 0.781975 O\n0.090825 0.614884 0.784265 O\n0.387803 0.898887 0.218388 O\n0.875189 0.384729 0.216060 O\n0.623659 0.634513 0.717661 O\n0.139169 0.148850 0.717118 O\n0.243882 0.257829 0.999290 O\n0.742193 0.758112 0.002283 O\n0.493860 0.007057 0.499310 O\n0.992742 0.508997 0.502498 O\n0.243424 0.742214 0.000738 O\n0.744663 0.242198 0.997841 O\n0.495369 0.491223 0.497807 O\n0.993325 0.993111 0.501033 O\n",
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{
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{
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"structure_string": "Ca2 Cu6 P6 O26\n1.0\n6.225872 0.000000 0.000000\n0.000000 7.577332 0.000000\n0.000000 1.791731 10.063260\nCa Cu P O\n2 6 6 26\ndirect\n0.750000 0.337351 0.194842 Ca\n0.250000 0.662649 0.805158 Ca\n0.250000 0.648995 0.201640 Cu\n0.750000 0.351005 0.798360 Cu\n0.250000 0.234866 0.435434 Cu\n0.500000 0.000000 0.000000 Cu\n0.750000 0.765134 0.564566 Cu\n0.000000 0.000000 0.000000 Cu\n0.250000 0.790474 0.483695 P\n0.750000 0.209526 0.516305 P\n0.250000 0.257010 0.759799 P\n0.750000 0.742990 0.240201 P\n0.750000 0.687641 0.887148 P\n0.250000 0.312359 0.112852 P\n0.750000 0.635398 0.744182 O\n0.560845 0.247369 0.413373 O\n0.250000 0.196901 0.625759 O\n0.543593 0.794392 0.902265 O\n0.750000 0.353228 0.605829 O\n0.750000 0.119483 0.908161 O\n0.250000 0.646772 0.394171 O\n0.043593 0.205608 0.097735 O\n0.250000 0.975308 0.397917 O\n0.750000 0.024692 0.602083 O\n0.061515 0.378732 0.788847 O\n0.250000 0.880517 0.091839 O\n0.561515 0.621268 0.211153 O\n0.750000 0.497754 0.970006 O\n0.750000 0.803099 0.374241 O\n0.456407 0.205608 0.097735 O\n0.939155 0.247369 0.413373 O\n0.439155 0.752631 0.586627 O\n0.438485 0.378732 0.788847 O\n0.250000 0.364602 0.255818 O\n0.750000 0.919445 0.133486 O\n0.250000 0.080555 0.866514 O\n0.938485 0.621268 0.211153 O\n0.956407 0.794392 0.902265 O\n0.060845 0.752631 0.586627 O\n0.250000 0.502246 0.029994 O\n",
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}