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{
"id": "mp-761213",
"created_at": "2022-09-04T14:42:03.859638Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n-5.305894 0.000000 0.000000\n-0.074017 -9.060438 0.000000\n2.559685 4.393334 10.144863\nLi Fe B O\n3 8 8 24\ndirect\n0.404675 0.057106 0.119030 Li\n0.076273 0.414129 0.841954 Li\n0.582619 0.909237 0.845133 Li\n0.600931 0.591590 0.873260 Fe\n0.903398 0.887669 0.120030 Fe\n0.160917 0.482613 0.621301 Fe\n0.342057 0.015504 0.370008 Fe\n0.657442 0.981430 0.622026 Fe\n0.847640 0.517209 0.367445 Fe\n0.093539 0.093203 0.873796 Fe\n0.396200 0.400512 0.120946 Fe\n0.350209 0.350779 0.364427 B\n0.101228 0.767726 0.871777 B\n0.856569 0.855375 0.374383 B\n0.599558 0.264469 0.871805 B\n0.152798 0.145208 0.625456 B\n0.402242 0.729489 0.122105 B\n0.653509 0.642519 0.623420 B\n0.887051 0.229475 0.120960 B\n0.863565 0.783740 0.904197 O\n0.528498 0.540210 0.660568 O\n0.754314 0.094589 0.106562 O\n0.429946 0.202279 0.344579 O\n0.141035 0.403452 0.422020 O\n0.188578 0.613173 0.820825 O\n0.739233 0.386526 0.869226 O\n0.972972 0.957495 0.334079 O\n0.302465 0.881619 0.170776 O\n0.361940 0.092251 0.568500 O\n0.080163 0.296278 0.648566 O\n0.616867 0.721150 0.072953 O\n0.371637 0.287796 0.919777 O\n0.635811 0.904952 0.425184 O\n0.679387 0.107200 0.824124 O\n0.027444 0.045216 0.665495 O\n0.280983 0.596019 0.121073 O\n0.782052 0.380352 0.167029 O\n0.861396 0.588662 0.565379 O\n0.578857 0.793714 0.646724 O\n0.946069 0.713093 0.367936 O\n0.255000 0.901854 0.891789 O\n0.467795 0.454998 0.323934 O\n0.129841 0.225508 0.088039 O\n",
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},
{
"id": "mp-559178",
"created_at": "2022-09-04T14:46:17.232048Z",
"structure_string": "Tm2 Mo2 Cl2 O8\n1.0\n3.620686 5.108398 0.000000\n-3.620686 5.108398 0.000000\n0.000000 2.072523 6.556230\nTm Mo Cl O\n2 2 2 8\ndirect\n0.778320 0.778320 0.112740 Tm\n0.221680 0.221680 0.887260 Tm\n0.362229 0.362229 0.269053 Mo\n0.637771 0.637771 0.730947 Mo\n0.989647 0.989647 0.768393 Cl\n0.010353 0.010353 0.231607 Cl\n0.706492 0.706492 0.462044 O\n0.293508 0.293508 0.537956 O\n0.507842 0.893748 0.846292 O\n0.454962 0.454962 0.800367 O\n0.106252 0.492158 0.153708 O\n0.893748 0.507842 0.846292 O\n0.545038 0.545038 0.199633 O\n0.492158 0.106252 0.153708 O\n",
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"formula_full": "Tm2 Mo2 Cl2 O8",
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"spacegroup": 12
},
{
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"created_at": "2022-09-04T14:43:07.701649Z",
"structure_string": "Cr4 P8 O28\n1.0\n6.768913 0.000000 -2.554340\n0.000000 8.047407 0.000000\n-0.003056 0.000000 9.358856\nCr P O\n4 8 28\ndirect\n0.272570 0.491822 0.746973 Cr\n0.272570 0.008178 0.246973 Cr\n0.727425 0.991831 0.753035 Cr\n0.727425 0.508169 0.253035 Cr\n0.073363 0.238592 0.944230 P\n0.073363 0.261408 0.444230 P\n0.926653 0.738604 0.555778 P\n0.926653 0.761396 0.055778 P\n0.324612 0.797719 0.551198 P\n0.675376 0.297719 0.948797 P\n0.324612 0.702281 0.051198 P\n0.675376 0.202281 0.448797 P\n0.009063 0.586216 0.657301 O\n0.009063 0.913784 0.157301 O\n0.990931 0.086230 0.842676 O\n0.990931 0.413770 0.342676 O\n0.199807 0.353814 0.891687 O\n0.199807 0.146186 0.391687 O\n0.800210 0.853826 0.608331 O\n0.800210 0.646174 0.108331 O\n0.109609 0.849909 0.550838 O\n0.109609 0.650091 0.050838 O\n0.890400 0.349880 0.949174 O\n0.890400 0.150120 0.449174 O\n0.326132 0.678687 0.889099 O\n0.326132 0.821313 0.389099 O\n0.673848 0.178700 0.610894 O\n0.673848 0.321300 0.110894 O\n0.191340 0.310724 0.610393 O\n0.191340 0.189276 0.110393 O\n0.808679 0.810717 0.889615 O\n0.808679 0.689283 0.389615 O\n0.359949 0.617074 0.601216 O\n0.640023 0.117079 0.898765 O\n0.359949 0.882926 0.101216 O\n0.640023 0.382921 0.398765 O\n0.536750 0.419142 0.833060 O\n0.463260 0.919123 0.666939 O\n0.536750 0.080858 0.333060 O\n0.463260 0.580877 0.166939 O\n",
"nsites": 40,
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"volume": 509.734637195711,
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"formula_full": "Cr4 P8 O28",
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"spacegroup": 14
},
{
"id": "mp-1043523",
"created_at": "2022-09-04T14:43:58.939725Z",
"structure_string": "Mn4 Zn4 Si16 O40\n1.0\n7.371357 0.000000 0.000000\n0.000000 7.371357 0.000000\n0.000000 0.000000 14.964279\nMn Zn Si O\n4 4 16 40\ndirect\n0.500000 0.000000 0.557301 Mn\n0.000000 0.500000 0.942699 Mn\n0.000000 0.500000 0.442699 Mn\n0.500000 0.000000 0.057301 Mn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.151626 0.236381 0.645804 Si\n0.848374 0.763619 0.645804 Si\n0.236381 0.151626 0.854196 Si\n0.736381 0.348374 0.645804 Si\n0.263619 0.651626 0.645804 Si\n0.348374 0.736381 0.854196 Si\n0.651626 0.263619 0.854196 Si\n0.763619 0.848374 0.854196 Si\n0.348374 0.263619 0.354196 Si\n0.651626 0.736381 0.354196 Si\n0.263619 0.348374 0.145804 Si\n0.763619 0.151626 0.354196 Si\n0.236381 0.848374 0.354196 Si\n0.151626 0.763619 0.145804 Si\n0.848374 0.236381 0.145804 Si\n0.736381 0.651626 0.145804 Si\n0.222597 0.085595 0.575176 O\n0.777403 0.914405 0.575176 O\n0.085595 0.222597 0.924824 O\n0.585595 0.277403 0.575176 O\n0.414405 0.722597 0.575176 O\n0.277403 0.585595 0.924824 O\n0.722597 0.414405 0.924824 O\n0.914405 0.777403 0.924824 O\n0.277403 0.414405 0.424824 O\n0.722597 0.585595 0.424824 O\n0.414405 0.277403 0.075176 O\n0.914405 0.222597 0.424824 O\n0.085595 0.777403 0.424824 O\n0.222597 0.914405 0.075176 O\n0.777403 0.085595 0.075176 O\n0.257915 0.065475 0.372704 O\n0.585595 0.722597 0.075176 O\n0.757915 0.565475 0.627296 O\n0.434525 0.242085 0.872704 O\n0.934525 0.257915 0.627296 O\n0.065475 0.742085 0.627296 O\n0.257915 0.934525 0.872704 O\n0.742085 0.065475 0.872704 O\n0.565475 0.757915 0.872704 O\n0.683400 0.683400 0.250000 O\n0.816600 0.183400 0.250000 O\n0.183400 0.816600 0.250000 O\n0.316600 0.316600 0.250000 O\n0.816600 0.816600 0.750000 O\n0.683400 0.316600 0.750000 O\n0.316600 0.683400 0.750000 O\n0.183400 0.183400 0.750000 O\n0.934525 0.742085 0.127296 O\n0.757915 0.434525 0.127296 O\n0.242085 0.565475 0.127296 O\n0.434525 0.757915 0.372704 O\n0.565475 0.242085 0.372704 O\n0.065475 0.257915 0.127296 O\n0.742085 0.934525 0.372704 O\n0.242085 0.434525 0.627296 O\n",
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"formula_full": "Mn4 Zn4 Si16 O40",
"formula_reduced": "MnZn(Si2O5)2",
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"spacegroup": 130
},
{
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"created_at": "2022-09-04T14:39:34.935682Z",
"structure_string": "Bi2 W2 O8\n1.0\n-2.702840 2.702840 5.754586\n2.702840 -2.702840 5.754586\n2.702840 2.702840 -5.754586\nBi W O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.750000 0.250000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.255927 0.333762 0.425357 O\n0.908405 0.830570 0.574643 O\n0.666238 0.091595 0.922165 O\n0.169430 0.744073 0.077835 O\n0.580570 0.505927 0.422165 O\n0.083762 0.158405 0.577835 O\n0.494073 0.916238 0.074643 O\n0.841595 0.419430 0.925357 O\n",
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"formula_full": "Bi2 W2 O8",
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{
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"structure_string": "Li3 Fe8 B8 O24\n1.0\n-5.287204 0.000000 0.000000\n-0.030804 -9.071023 0.000000\n2.527658 4.489694 10.124084\nLi Fe B O\n3 8 8 24\ndirect\n0.600446 0.944985 0.904169 Li\n0.935114 0.569763 0.165498 Li\n0.674963 0.332976 0.652215 Li\n0.406250 0.734890 0.126708 Fe\n0.098385 0.774514 0.875661 Fe\n0.847683 0.859966 0.383501 Fe\n0.651304 0.653385 0.628375 Fe\n0.349290 0.353566 0.372944 Fe\n0.152809 0.150184 0.628853 Fe\n0.901914 0.214897 0.131887 Fe\n0.593675 0.274065 0.880150 Fe\n0.651895 0.985532 0.633218 B\n0.889357 0.883466 0.123616 B\n0.138534 0.482278 0.624959 B\n0.404982 0.406058 0.130093 B\n0.849861 0.518821 0.378674 B\n0.594443 0.603971 0.871835 B\n0.353561 0.020581 0.375015 B\n0.109012 0.109082 0.881903 B\n0.120577 0.850173 0.085441 O\n0.473662 0.877854 0.325622 O\n0.234387 0.980057 0.885528 O\n0.547554 0.859451 0.648503 O\n0.856442 0.969933 0.572356 O\n0.795664 0.777560 0.172449 O\n0.280875 0.540019 0.131834 O\n0.027974 0.628891 0.662707 O\n0.693845 0.710750 0.827317 O\n0.631659 0.525562 0.430977 O\n0.927346 0.645649 0.354951 O\n0.396609 0.652576 0.935622 O\n0.634994 0.374751 0.083385 O\n0.380593 0.474285 0.587316 O\n0.304616 0.304571 0.177301 O\n0.976452 0.379082 0.343135 O\n0.690390 0.457670 0.850229 O\n0.220552 0.219195 0.845608 O\n0.131770 0.013707 0.418490 O\n0.459660 0.162740 0.385448 O\n0.021273 0.351075 0.626658 O\n0.752719 0.002695 0.106020 O\n0.557235 0.138500 0.679343 O\n0.864969 0.135352 0.915888 O\n",
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{
"id": "mp-1518467",
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"structure_string": "Ca1 Sm1 Eu1 Sb1 O6\n1.0\n0.000000 -4.231807 -4.231807\n4.231807 -0.000000 -4.231807\n4.231807 -4.231807 0.000000\nCa Sm Eu Sb O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Sm\n0.750000 0.750000 0.750000 Eu\n-0.000000 0.000000 -0.000000 Sb\n0.765344 0.234656 0.234656 O\n0.234656 0.765344 0.765344 O\n0.765344 0.234656 0.765344 O\n0.234656 0.765344 0.234656 O\n0.765344 0.765344 0.234656 O\n0.234656 0.234656 0.765344 O\n",
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"formula_full": "Ca1 Sm1 Eu1 Sb1 O6",
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{
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