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{
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{
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"structure_string": "Li8 Mn8 Si8 O32\n1.0\n10.283891 0.000000 0.000000\n0.000000 5.727886 0.000000\n0.000000 0.107962 10.329427\nLi Mn Si O\n8 8 8 32\ndirect\n0.159945 0.879458 0.852063 Li\n0.340055 0.879458 0.352063 Li\n0.627764 0.636238 0.604059 Li\n0.872236 0.636238 0.104059 Li\n0.127764 0.363762 0.895941 Li\n0.372236 0.363762 0.395941 Li\n0.659945 0.120542 0.647937 Li\n0.840055 0.120542 0.147937 Li\n0.873310 0.845273 0.519472 Mn\n0.626690 0.845273 0.019472 Mn\n0.409390 0.637851 0.776883 Mn\n0.090610 0.637851 0.276883 Mn\n0.909390 0.362149 0.723117 Mn\n0.590610 0.362149 0.223117 Mn\n0.373310 0.154727 0.980528 Mn\n0.126690 0.154727 0.480528 Mn\n0.892562 0.876023 0.829829 Si\n0.607438 0.876023 0.329829 Si\n0.147486 0.625464 0.584489 Si\n0.352514 0.625464 0.084489 Si\n0.647486 0.374536 0.915511 Si\n0.852514 0.374536 0.415511 Si\n0.392562 0.123977 0.670171 Si\n0.107438 0.123977 0.170171 Si\n0.800822 0.882306 0.961751 O\n0.489382 0.892555 0.669555 O\n0.699178 0.882306 0.461751 O\n0.010618 0.892555 0.169555 O\n0.803764 0.884316 0.694402 O\n0.050218 0.853064 0.580440 O\n0.696236 0.884316 0.194402 O\n0.449782 0.853064 0.080440 O\n0.246755 0.673418 0.700654 O\n0.981048 0.636582 0.836125 O\n0.253245 0.673418 0.200654 O\n0.518952 0.636582 0.336125 O\n0.566035 0.619659 0.882194 O\n0.292169 0.582125 0.939681 O\n0.933965 0.619659 0.382194 O\n0.207831 0.582125 0.439681 O\n0.792169 0.417875 0.560319 O\n0.066035 0.380341 0.617806 O\n0.707831 0.417875 0.060319 O\n0.433965 0.380341 0.117806 O\n0.481048 0.363418 0.663875 O\n0.746755 0.326582 0.799346 O\n0.018952 0.363418 0.163875 O\n0.753245 0.326582 0.299346 O\n0.550218 0.146936 0.919560 O\n0.303764 0.115684 0.805598 O\n0.949782 0.146936 0.419560 O\n0.196236 0.115684 0.305598 O\n0.989382 0.107445 0.830445 O\n0.300822 0.117694 0.538249 O\n0.510618 0.107445 0.330445 O\n0.199178 0.117694 0.038249 O\n",
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"spacegroup": 14
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{
"id": "mp-1227552",
"created_at": "2022-09-04T14:39:27.580672Z",
"structure_string": "Ca8 Al4 Fe4 O20\n1.0\n5.309852 0.000000 0.000000\n0.000000 5.447503 0.000000\n0.000000 0.000000 15.042727\nCa Al Fe O\n8 4 4 20\ndirect\n0.508567 0.980927 0.105285 Ca\n0.008567 0.519073 0.394715 Ca\n0.491433 0.019073 0.605285 Ca\n0.991433 0.480927 0.894715 Ca\n0.491433 0.019073 0.894715 Ca\n0.991433 0.480927 0.605285 Ca\n0.508567 0.980927 0.394715 Ca\n0.008567 0.519073 0.105285 Ca\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.051630 0.060834 0.250000 Fe\n0.551630 0.439166 0.250000 Fe\n0.948370 0.939166 0.750000 Fe\n0.448370 0.560834 0.750000 Fe\n0.418424 0.107968 0.250000 O\n0.918424 0.392032 0.250000 O\n0.581576 0.892032 0.750000 O\n0.081576 0.607968 0.750000 O\n0.748247 0.751868 0.988614 O\n0.248247 0.748132 0.511386 O\n0.251753 0.248132 0.488614 O\n0.751753 0.251868 0.011386 O\n0.251753 0.248132 0.011386 O\n0.751753 0.251868 0.488614 O\n0.748247 0.751868 0.511386 O\n0.248247 0.748132 0.988614 O\n0.985231 0.942146 0.134990 O\n0.485231 0.557854 0.365010 O\n0.014769 0.057854 0.634990 O\n0.514769 0.442146 0.865010 O\n0.014769 0.057854 0.865010 O\n0.514769 0.442146 0.634990 O\n0.985231 0.942146 0.365010 O\n0.485231 0.557854 0.134990 O\n",
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{
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"structure_string": "K2 V20 S32\n1.0\n6.471406 0.000000 0.000000\n0.000000 8.480015 0.000000\n0.000000 4.346387 17.010242\nK V S\n2 20 32\ndirect\n0.375190 0.000000 0.750000 K\n0.624810 0.000000 0.250000 K\n0.630544 0.858791 0.040132 V\n0.630544 0.141209 0.459868 V\n0.126915 0.861188 0.039395 V\n0.126915 0.138812 0.460605 V\n0.369456 0.858791 0.540132 V\n0.369456 0.141209 0.959868 V\n0.873085 0.861188 0.539395 V\n0.873085 0.138812 0.960605 V\n0.379438 0.505888 0.897744 V\n0.379438 0.494112 0.602256 V\n0.878406 0.504633 0.897370 V\n0.878406 0.495367 0.602630 V\n0.620562 0.505888 0.397744 V\n0.620562 0.494112 0.102256 V\n0.121594 0.504633 0.397370 V\n0.121594 0.495367 0.102630 V\n0.655336 0.500000 0.750000 V\n0.103232 0.500000 0.750000 V\n0.344664 0.500000 0.250000 V\n0.896768 0.500000 0.250000 V\n0.628431 0.327110 0.322214 S\n0.879270 0.314167 0.826463 S\n0.629713 0.994645 0.911478 S\n0.629713 0.005355 0.588522 S\n0.127568 0.995491 0.910483 S\n0.127568 0.004509 0.589517 S\n0.370287 0.994645 0.411478 S\n0.370287 0.005355 0.088522 S\n0.872432 0.995491 0.410483 S\n0.872432 0.004509 0.089517 S\n0.378704 0.660140 0.009519 S\n0.378704 0.339860 0.490481 S\n0.878613 0.658198 0.009332 S\n0.878613 0.341802 0.490668 S\n0.121387 0.658198 0.509332 S\n0.121387 0.341802 0.990668 S\n0.621296 0.660140 0.509519 S\n0.621296 0.339860 0.990481 S\n0.632732 0.684759 0.833661 S\n0.632732 0.315241 0.666339 S\n0.125311 0.684152 0.833886 S\n0.125311 0.315848 0.666114 S\n0.367268 0.684759 0.333661 S\n0.367268 0.315241 0.166339 S\n0.874689 0.684152 0.333886 S\n0.874689 0.315848 0.166114 S\n0.628431 0.672890 0.177786 S\n0.371569 0.327110 0.822214 S\n0.120730 0.685833 0.173537 S\n0.120730 0.314167 0.326463 S\n0.371569 0.672890 0.677786 S\n0.879270 0.685833 0.673537 S\n",
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{
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"structure_string": "Ti1 Ni3 Sn2 P6 O24\n1.0\n7.294935 -4.335072 0.000000\n7.294935 4.335072 0.000000\n4.718784 0.000000 7.052801\nTi Ni Sn P O\n1 3 2 6 24\ndirect\n0.850794 0.850794 0.850794 Ti\n0.149253 0.149253 0.149253 Ni\n0.352381 0.352381 0.352381 Ni\n0.645951 0.645951 0.645951 Ni\n0.002355 0.002355 0.002355 Sn\n0.501753 0.501753 0.501753 Sn\n0.747524 0.045142 0.452173 P\n0.045142 0.452173 0.747524 P\n0.543672 0.250379 0.955630 P\n0.955630 0.543672 0.250379 P\n0.250379 0.955630 0.543672 P\n0.452173 0.747524 0.045142 P\n0.316823 0.103768 0.517503 O\n0.517503 0.316823 0.103768 O\n0.904797 0.067661 0.251273 O\n0.103768 0.517503 0.316823 O\n0.823486 0.993308 0.612290 O\n0.597382 0.247878 0.444838 O\n0.067661 0.251273 0.904797 O\n0.247878 0.444838 0.597382 O\n0.399970 0.174798 0.987532 O\n0.444838 0.597382 0.247878 O\n0.752509 0.088399 0.934003 O\n0.987532 0.399970 0.174798 O\n0.993308 0.612290 0.823486 O\n0.251273 0.904797 0.067661 O\n0.569423 0.402555 0.749170 O\n0.612290 0.823486 0.993308 O\n0.749170 0.569423 0.402555 O\n0.934003 0.752509 0.088399 O\n0.402555 0.749170 0.569423 O\n0.174798 0.987532 0.399970 O\n0.896574 0.489984 0.677072 O\n0.088399 0.934003 0.752509 O\n0.489984 0.677072 0.896574 O\n0.677072 0.896574 0.489984 O\n",
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{
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{
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{
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"structure_string": "Mn10 O5 F15\n1.0\n3.351601 -3.552170 0.000000\n3.351601 3.552170 0.000000\n0.000000 0.000000 15.913308\nMn O F\n10 5 15\ndirect\n0.014645 0.014645 0.399336 Mn\n0.023384 0.023384 0.199330 Mn\n0.964113 0.964113 0.000000 Mn\n0.014645 0.014645 0.600664 Mn\n0.023384 0.023384 0.800670 Mn\n0.480215 0.480215 0.500000 Mn\n0.494829 0.494829 0.099835 Mn\n0.488223 0.488223 0.299637 Mn\n0.494829 0.494829 0.900165 Mn\n0.488223 0.488223 0.700363 Mn\n0.320165 0.320165 0.197925 O\n0.306696 0.306696 0.397706 O\n0.306696 0.306696 0.602294 O\n0.320165 0.320165 0.802075 O\n0.665351 0.665351 0.000000 O\n0.793059 0.196650 0.899791 F\n0.793059 0.196650 0.100209 F\n0.810920 0.200419 0.300299 F\n0.808103 0.195185 0.500000 F\n0.810920 0.200419 0.699701 F\n0.280023 0.280023 0.000000 F\n0.705738 0.705738 0.204124 F\n0.698775 0.698775 0.399489 F\n0.698775 0.698775 0.600511 F\n0.705738 0.705738 0.795876 F\n0.196650 0.793059 0.100209 F\n0.200419 0.810920 0.300299 F\n0.195185 0.808103 0.500000 F\n0.196650 0.793059 0.899791 F\n0.200419 0.810920 0.699701 F\n",
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{
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},
{
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"structure_string": "Li2 Mn2 V2 P8 O28\n1.0\n7.144742 0.000000 0.000000\n-0.190963 8.177211 0.000000\n-3.506262 -0.215068 9.017121\nLi Mn V P O\n2 2 2 8 28\ndirect\n0.672302 0.863232 0.750549 Li\n0.326387 0.358035 0.251651 Li\n0.266593 0.007414 0.741080 Mn\n0.277915 0.993167 0.243916 Mn\n0.718949 0.495707 0.755571 V\n0.725572 0.505716 0.255964 V\n0.091419 0.780756 0.936152 P\n0.484944 0.678302 0.940291 P\n0.522616 0.177822 0.558808 P\n0.089742 0.782679 0.436175 P\n0.913975 0.288508 0.562342 P\n0.482432 0.682731 0.441335 P\n0.518061 0.174701 0.059057 P\n0.909659 0.287617 0.063051 P\n0.252223 0.652193 0.921647 O\n0.085769 0.932678 0.844531 O\n0.391925 0.173740 0.894210 O\n0.510622 0.843408 0.880052 O\n0.528006 0.535833 0.852484 O\n0.842805 0.332652 0.898610 O\n0.888063 0.686654 0.872420 O\n0.108958 0.203679 0.611733 O\n0.142445 0.828433 0.599906 O\n0.481481 0.038402 0.648256 O\n0.515339 0.348022 0.625684 O\n0.607445 0.670670 0.609430 O\n0.901212 0.439245 0.657051 O\n0.751229 0.151421 0.572938 O\n0.250136 0.650664 0.423521 O\n0.094300 0.931823 0.343990 O\n0.390193 0.177196 0.394231 O\n0.507374 0.847345 0.384580 O\n0.518576 0.536981 0.351628 O\n0.842546 0.341345 0.398544 O\n0.891700 0.683053 0.379981 O\n0.111851 0.209741 0.118576 O\n0.140426 0.820353 0.099637 O\n0.470579 0.038019 0.146645 O\n0.513578 0.344320 0.131292 O\n0.606246 0.662101 0.107858 O\n0.908849 0.441068 0.158200 O\n0.750164 0.151717 0.076077 O\n",
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{
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"structure_string": "Ce2 Mg12 Cr2\n1.0\n5.035373 0.000000 0.000000\n0.000000 6.522096 0.000000\n0.000000 0.000000 11.411737\nCe Mg Cr\n2 12 2\ndirect\n0.000000 0.500000 0.322324 Ce\n0.000000 0.000000 0.822324 Ce\n0.000000 0.738682 0.078448 Mg\n0.000000 0.261318 0.078448 Mg\n0.000000 0.000000 0.338190 Mg\n0.500000 0.241393 0.423696 Mg\n0.500000 0.758607 0.423696 Mg\n0.500000 0.000000 0.167459 Mg\n0.000000 0.238682 0.578448 Mg\n0.000000 0.761318 0.578448 Mg\n0.000000 0.500000 0.838190 Mg\n0.500000 0.741392 0.923696 Mg\n0.500000 0.258608 0.923696 Mg\n0.500000 0.500000 0.667459 Mg\n0.500000 0.500000 0.167739 Cr\n0.500000 0.000000 0.667739 Cr\n",
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],
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"formula_full": "Ce2 Mg12 Cr2",
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{
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"structure_string": "Ce8 Co8 Sb24\n1.0\n6.189689 0.000000 0.000000\n0.000000 12.167851 0.000000\n0.000000 0.000000 12.571474\nCe Co Sb\n8 8 24\ndirect\n0.227841 0.250000 0.302041 Ce\n0.772159 0.750000 0.697959 Ce\n0.750000 0.500000 0.299491 Ce\n0.250000 0.500000 0.700509 Ce\n0.727841 0.250000 0.697959 Ce\n0.272159 0.750000 0.302041 Ce\n0.750000 0.000000 0.299491 Ce\n0.250000 0.000000 0.700509 Ce\n0.536883 0.864203 0.899636 Co\n0.463117 0.364203 0.100364 Co\n0.536883 0.635797 0.899636 Co\n0.463117 0.135797 0.100364 Co\n0.963117 0.135797 0.899636 Co\n0.036883 0.864203 0.100364 Co\n0.036883 0.635797 0.100364 Co\n0.963117 0.364203 0.899636 Co\n0.384110 0.750000 0.055297 Sb\n0.267162 0.750000 0.780244 Sb\n0.115890 0.250000 0.055297 Sb\n0.750000 0.000000 0.775933 Sb\n0.011516 0.875572 0.497655 Sb\n0.767162 0.750000 0.219756 Sb\n0.232838 0.250000 0.780244 Sb\n0.750000 0.500000 0.028083 Sb\n0.732838 0.250000 0.219756 Sb\n0.488484 0.124428 0.497655 Sb\n0.750000 0.500000 0.775933 Sb\n0.988484 0.124428 0.502345 Sb\n0.615890 0.250000 0.944703 Sb\n0.884110 0.750000 0.944703 Sb\n0.250000 0.500000 0.224067 Sb\n0.250000 0.000000 0.971917 Sb\n0.011516 0.624428 0.497655 Sb\n0.488484 0.375572 0.497655 Sb\n0.250000 0.000000 0.224067 Sb\n0.750000 0.000000 0.028083 Sb\n0.511516 0.624428 0.502345 Sb\n0.988484 0.375572 0.502345 Sb\n0.250000 0.500000 0.971917 Sb\n0.511516 0.875572 0.502345 Sb\n",
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{
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"structure_string": "Li6 Mn2 Fe4 B6 O18\n1.0\n6.287816 0.000000 0.000000\n0.000000 8.261999 0.000000\n0.000000 4.129879 7.161992\nLi Mn Fe B O\n6 2 4 6 18\ndirect\n0.749641 0.715564 0.301631 Li\n0.250359 0.715564 0.301631 Li\n0.749027 0.983176 0.715111 Li\n0.250973 0.983176 0.715111 Li\n0.248765 0.301436 0.984200 Li\n0.751235 0.301436 0.984200 Li\n0.500000 0.626636 0.012270 Mn\n0.000000 0.360386 0.627112 Mn\n0.000000 0.634169 0.006733 Fe\n0.500000 0.358852 0.634209 Fe\n0.000000 0.007959 0.360079 Fe\n0.500000 0.008130 0.359333 Fe\n0.000000 0.999451 0.003484 B\n0.500000 0.001677 0.998383 B\n0.749969 0.667761 0.665072 B\n0.250031 0.667761 0.665072 B\n0.749967 0.331890 0.333878 B\n0.250033 0.331890 0.333878 B\n0.500000 0.892469 0.192113 O\n0.000000 0.888398 0.196969 O\n0.749754 0.861922 0.557450 O\n0.250246 0.861922 0.557450 O\n0.000000 0.914928 0.892538 O\n0.500000 0.919361 0.887611 O\n0.745859 0.560057 0.579243 O\n0.254141 0.560057 0.579243 O\n0.754286 0.581633 0.858714 O\n0.245714 0.581633 0.858714 O\n0.752826 0.525780 0.220630 O\n0.247174 0.525780 0.220630 O\n0.000000 0.192490 0.920197 O\n0.500000 0.196644 0.915086 O\n0.750295 0.218082 0.253842 O\n0.249705 0.218082 0.253842 O\n0.253217 0.251925 0.527171 O\n0.746783 0.251925 0.527171 O\n",
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],
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"formula_full": "Li6 Mn2 Fe4 B6 O18",
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}
]
}