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},
{
"id": "mp-1105426",
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"structure_string": "Fe8 Co2 B4 P2\n1.0\n5.351669 0.000000 0.000000\n0.000000 5.351669 0.000000\n-2.675835 -2.675835 5.232067\nFe Co B P\n8 2 4 2\ndirect\n0.028512 0.528512 0.719335 Fe\n0.690824 0.190824 0.719335 Fe\n0.190824 0.028512 0.719335 Fe\n0.528512 0.690824 0.719335 Fe\n0.971488 0.471488 0.280665 Fe\n0.309176 0.809176 0.280665 Fe\n0.809176 0.971488 0.280665 Fe\n0.471488 0.309176 0.280665 Fe\n0.500000 0.500000 0.000000 Co\n0.000000 0.000000 0.000000 Co\n0.378738 0.878738 0.000000 B\n0.621262 0.121262 0.000000 B\n0.121262 0.378738 0.000000 B\n0.878738 0.621262 0.000000 B\n0.250000 0.250000 0.500000 P\n0.750000 0.750000 0.500000 P\n",
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{
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"structure_string": "Na6 Mg4 W6 O24\n1.0\n6.802596 6.159566 0.000000\n-6.802596 6.159566 0.000000\n0.000000 2.872409 6.674880\nNa Mg W O\n6 4 6 24\ndirect\n0.235337 0.764663 0.250000 Na\n0.764663 0.235337 0.750000 Na\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.530197 0.469803 0.250000 Na\n0.469803 0.530197 0.750000 Na\n0.554640 0.867416 0.373254 Mg\n0.445360 0.132584 0.626746 Mg\n0.132584 0.445360 0.126746 Mg\n0.867416 0.554640 0.873254 Mg\n0.780046 0.219954 0.250000 W\n0.219954 0.780046 0.750000 W\n0.385538 0.158007 0.124909 W\n0.614462 0.841993 0.875091 W\n0.841993 0.614462 0.375091 W\n0.158007 0.385538 0.624909 W\n0.459145 0.095175 0.341007 O\n0.540855 0.904825 0.658993 O\n0.904825 0.540855 0.158993 O\n0.095175 0.459145 0.841007 O\n0.501274 0.851669 0.117933 O\n0.498726 0.148331 0.882067 O\n0.148331 0.498726 0.382067 O\n0.851669 0.501274 0.617933 O\n0.205955 0.033488 0.195193 O\n0.794045 0.966512 0.804807 O\n0.966512 0.794045 0.304807 O\n0.033488 0.205955 0.695193 O\n0.757988 0.020603 0.224851 O\n0.242012 0.979397 0.775149 O\n0.979397 0.242012 0.275149 O\n0.020603 0.757988 0.724851 O\n0.658896 0.276269 0.469058 O\n0.341104 0.723731 0.530942 O\n0.723731 0.341104 0.030942 O\n0.276269 0.658896 0.969058 O\n0.648173 0.658509 0.404094 O\n0.351827 0.341491 0.595906 O\n0.341491 0.351827 0.095906 O\n0.658509 0.648173 0.904094 O\n",
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{
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"structure_string": "V4 O4 F12\n1.0\n4.827354 0.000000 0.000000\n0.000000 4.602134 0.000000\n0.000000 4.460784 12.040620\nV O F\n4 4 12\ndirect\n0.699908 0.292144 0.681229 V\n0.199908 0.707856 0.818771 V\n0.800092 0.292144 0.181229 V\n0.300092 0.707856 0.318771 V\n0.948778 0.962164 0.803270 O\n0.448778 0.037836 0.696730 O\n0.551222 0.962164 0.303270 O\n0.051222 0.037836 0.196730 O\n0.428401 0.797309 0.910733 F\n0.928401 0.202691 0.589267 F\n0.418925 0.366021 0.420429 F\n0.408468 0.566301 0.205064 F\n0.908468 0.433699 0.294936 F\n0.918925 0.633979 0.079571 F\n0.081075 0.366021 0.920429 F\n0.091532 0.566301 0.705064 F\n0.591532 0.433699 0.794936 F\n0.581075 0.633979 0.579571 F\n0.071599 0.797309 0.410733 F\n0.571599 0.202691 0.089267 F\n",
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{
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"created_at": "2022-09-04T14:48:26.251549Z",
"structure_string": "Sr10 Fe3 Co2 Mo5 O30\n1.0\n8.033307 0.000000 0.000000\n4.016276 8.890865 0.000000\n4.013327 0.174958 9.026424\nSr Fe Co Mo O\n10 3 2 5 30\ndirect\n0.147950 0.401191 0.299850 Sr\n0.754153 0.000449 0.500177 Sr\n0.948346 0.203891 0.899503 Sr\n0.550190 0.796325 0.101614 Sr\n0.347975 0.599206 0.701073 Sr\n0.652025 0.400794 0.298927 Sr\n0.245847 0.999551 0.499823 Sr\n0.449810 0.203675 0.898386 Sr\n0.051654 0.796109 0.100497 Sr\n0.852050 0.598809 0.700150 Sr\n0.299776 0.301158 0.600138 Fe\n0.500000 0.500000 0.000000 Fe\n0.700224 0.698842 0.399862 Fe\n0.900756 0.898580 0.799890 Co\n0.099244 0.101420 0.200110 Co\n0.801440 0.297393 0.600445 Mo\n0.398897 0.900867 0.801125 Mo\n0.601103 0.099133 0.198875 Mo\n0.198560 0.702607 0.399555 Mo\n0.000000 0.500000 0.000000 Mo\n0.848923 0.600979 0.201425 O\n0.454094 0.197457 0.394373 O\n0.649620 0.399235 0.801082 O\n0.255526 0.996404 0.992512 O\n0.052163 0.799202 0.597369 O\n0.947837 0.200798 0.402631 O\n0.545906 0.802543 0.605627 O\n0.744474 0.003596 0.007488 O\n0.350380 0.600765 0.198918 O\n0.151077 0.399021 0.798575 O\n0.119038 0.892716 0.299885 O\n0.316139 0.095568 0.700503 O\n0.515887 0.295114 0.102784 O\n0.713523 0.496502 0.504830 O\n0.918062 0.693118 0.904719 O\n0.081938 0.306882 0.095281 O\n0.286477 0.503498 0.495170 O\n0.484113 0.704886 0.897216 O\n0.683861 0.904432 0.299497 O\n0.880962 0.107284 0.700115 O\n0.243352 0.528169 0.985864 O\n0.443608 0.728668 0.386634 O\n0.629645 0.928301 0.787285 O\n0.831029 0.127997 0.184653 O\n0.045130 0.327103 0.585037 O\n0.756648 0.471831 0.014136 O\n0.954870 0.672897 0.414963 O\n0.168971 0.872003 0.815347 O\n0.370355 0.071699 0.212715 O\n0.556392 0.271332 0.613366 O\n",
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{
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"structure_string": "Li4 Mn3 Fe2 Cu3 O16\n1.0\n5.831453 0.027740 0.055556\n-2.891755 5.014929 -0.001174\n0.086289 0.047646 9.477539\nLi Mn Fe Cu O\n4 3 2 3 16\ndirect\n0.331273 0.665527 0.895017 Li\n0.990949 0.995233 0.997880 Li\n0.013404 0.006743 0.492930 Li\n0.674088 0.337067 0.395623 Li\n0.653249 0.826642 0.215412 Mn\n0.834267 0.663334 0.714937 Mn\n0.834280 0.171006 0.714887 Mn\n0.336253 0.668380 0.491695 Fe\n0.654269 0.327155 0.992094 Fe\n0.165865 0.827561 0.212887 Cu\n0.165671 0.338281 0.213029 Cu\n0.341216 0.170684 0.713380 Cu\n0.158886 0.831887 0.598852 O\n0.041889 0.520912 0.337573 O\n0.339002 0.669242 0.109393 O\n0.988429 0.994577 0.305085 O\n0.993884 0.997003 0.809632 O\n0.158916 0.327189 0.598853 O\n0.494419 0.967462 0.341135 O\n0.493224 0.526161 0.340808 O\n0.313441 0.156821 0.098368 O\n0.684533 0.842213 0.603573 O\n0.528666 0.491308 0.837954 O\n0.528602 0.037204 0.837912 O\n0.684017 0.342001 0.608592 O\n0.814998 0.666108 0.098505 O\n0.966248 0.483136 0.833072 O\n0.816060 0.149459 0.098763 O\n",
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{
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"created_at": "2022-09-04T14:48:26.351775Z",
"structure_string": "Hg8 Cl4 O4\n1.0\n-7.090912 0.000000 0.000000\n3.502905 6.343987 0.000000\n-0.148717 -2.941123 -9.372897\nHg Cl O\n8 4 4\ndirect\n0.802079 0.091537 0.888685 Hg\n0.283334 0.091309 0.387719 Hg\n0.289744 0.999965 0.747965 Hg\n0.710256 0.000035 0.252035 Hg\n0.000000 0.500000 0.500000 Hg\n0.197921 0.908463 0.111315 Hg\n0.716666 0.908691 0.612281 Hg\n0.500000 0.500000 0.000000 Hg\n0.637387 0.637958 0.372855 Cl\n0.000291 0.640077 0.873999 Cl\n0.999709 0.359923 0.126001 Cl\n0.362613 0.362042 0.627145 Cl\n0.792441 0.170874 0.462855 O\n0.207559 0.829126 0.537145 O\n0.393822 0.172010 0.961872 O\n0.606178 0.827990 0.038128 O\n",
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"elements": [
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],
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"density": 7.1304428316551025,
"density_atomic": 0.037947376659911526,
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"formula_full": "Hg8 Cl4 O4",
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{
"id": "mp-1523210",
"created_at": "2022-09-04T14:48:26.248875Z",
"structure_string": "K1 La1 Fe1 W1 O6\n1.0\n-0.000000 -3.999249 -3.999249\n3.999249 -0.000000 -3.999249\n3.999249 -3.999249 0.000000\nK La Fe W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 La\n-0.000000 -0.000000 -0.000000 Fe\n0.500000 0.500000 0.500000 W\n0.745296 0.254704 0.254704 O\n0.254704 0.745296 0.745296 O\n0.745296 0.254704 0.745296 O\n0.254704 0.745296 0.254704 O\n0.745296 0.745296 0.254704 O\n0.254704 0.254704 0.745296 O\n",
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],
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"formula_full": "K1 La1 Fe1 W1 O6",
"formula_reduced": "KLaFeWO6",
"formula_anonymous": "ABCDE6",
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"spacegroup": 216
},
{
"id": "mp-774662",
"created_at": "2022-09-04T14:48:26.258982Z",
"structure_string": "Li3 Mn5 Cr3 O16\n1.0\n2.920326 5.139518 0.000000\n-2.920326 5.139518 0.000000\n0.000000 3.337368 9.634035\nLi Mn Cr O\n3 5 3 16\ndirect\n0.686742 0.686742 0.432032 Li\n0.184697 0.184697 0.939053 Li\n0.317695 0.317695 0.562977 Li\n0.499883 0.499883 0.001614 Mn\n0.750921 0.250506 0.247179 Mn\n0.249852 0.750268 0.750292 Mn\n0.250506 0.750921 0.247179 Mn\n0.750268 0.249852 0.750292 Mn\n0.251581 0.251581 0.246859 Cr\n0.000542 0.000542 0.498707 Cr\n0.750431 0.750431 0.751568 Cr\n0.609776 0.168144 0.128503 O\n0.168144 0.609776 0.128503 O\n0.614177 0.614177 0.645640 O\n0.114190 0.114190 0.143754 O\n0.344824 0.888835 0.364155 O\n0.395967 0.395967 0.868212 O\n0.888835 0.344824 0.364155 O\n0.895727 0.895727 0.361732 O\n0.105796 0.105796 0.636723 O\n0.602128 0.602128 0.131040 O\n0.116764 0.653601 0.634497 O\n0.888872 0.888872 0.851698 O\n0.653601 0.116764 0.634497 O\n0.387266 0.387266 0.353504 O\n0.840185 0.385286 0.870815 O\n0.385286 0.840185 0.870815 O\n",
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],
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"volume": 289.19577368474364,
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"formula_full": "Li3 Mn5 Cr3 O16",
"formula_reduced": "Li3Mn5Cr3O16",
"formula_anonymous": "A3B3C5D16",
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]
}