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{
"id": "mp-1105676",
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{
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"structure_string": "Cd2 In4 Se2 S6\n1.0\n-3.939239 3.967668 5.590438\n3.939239 -3.967668 5.590438\n3.939239 3.967668 -5.590438\nCd In Se S\n2 4 2 6\ndirect\n0.616429 0.116429 0.500000 Cd\n0.876548 0.876548 0.000000 Cd\n0.253259 0.503517 0.749742 In\n0.753775 0.503517 0.250258 In\n0.250125 0.506227 0.256102 In\n0.250125 0.994023 0.743898 In\n0.492214 0.258655 0.233560 Se\n0.025095 0.258655 0.766440 Se\n0.489812 0.261178 0.771366 S\n0.489812 0.718447 0.228634 S\n0.009705 0.740728 0.268977 S\n0.471751 0.740728 0.731023 S\n0.010674 0.739766 0.729092 S\n0.010674 0.281582 0.270908 S\n",
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},
{
"id": "mp-862324",
"created_at": "2022-09-04T14:46:07.377426Z",
"structure_string": "Sc2 Ga1 Tc1\n1.0\n0.000000 3.289057 3.289057\n3.289057 0.000000 3.289057\n3.289057 3.289057 0.000000\nSc Ga Tc\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sc\n0.250000 0.250000 0.250000 Sc\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Tc\n",
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{
"id": "mp-530875",
"created_at": "2022-09-04T14:46:07.677184Z",
"structure_string": "Pr24 Mn22 O72\n1.0\n11.037015 -0.034667 0.000000\n5.500851 5.643084 0.000000\n0.000000 0.000000 23.440350\nPr Mn O\n24 22 72\ndirect\n0.029733 0.451579 0.586012 Pr\n0.009238 0.447814 0.245880 Pr\n0.016388 0.456313 0.915631 Pr\n0.474916 0.040184 0.085025 Pr\n0.472365 0.043164 0.415707 Pr\n0.453414 0.079647 0.744127 Pr\n0.025084 0.959816 0.248308 Pr\n0.027635 0.956836 0.917627 Pr\n0.046586 0.920353 0.589206 Pr\n0.509238 0.447814 0.587453 Pr\n0.529733 0.451579 0.247321 Pr\n0.516388 0.456313 0.917703 Pr\n0.490762 0.552186 0.087453 Pr\n0.483612 0.543687 0.417703 Pr\n0.470267 0.548421 0.747321 Pr\n0.953414 0.079647 0.089206 Pr\n0.972365 0.043164 0.417627 Pr\n0.974916 0.040184 0.748308 Pr\n0.546586 0.920353 0.244127 Pr\n0.527635 0.956836 0.915707 Pr\n0.525084 0.959816 0.585025 Pr\n0.970267 0.548421 0.086012 Pr\n0.983612 0.543687 0.415631 Pr\n0.990762 0.552186 0.745880 Pr\n0.250000 -0.000000 0.166667 Mn\n0.247728 0.004536 0.000440 Mn\n0.252272 0.995464 0.332893 Mn\n0.250821 0.001692 0.832923 Mn\n0.250000 -0.000000 0.666667 Mn\n0.250000 0.500000 0.166667 Mn\n0.251316 0.496117 0.330843 Mn\n0.248684 0.503883 0.002490 Mn\n0.248267 0.504350 0.835055 Mn\n0.251733 0.495650 0.498278 Mn\n0.750000 -0.000000 0.666667 Mn\n0.747728 0.004536 0.832893 Mn\n0.750821 0.001692 0.000410 Mn\n0.750000 -0.000000 0.166667 Mn\n0.749179 0.998308 0.332923 Mn\n0.249179 0.998308 0.500410 Mn\n0.748267 0.504350 0.998278 Mn\n0.751316 0.496117 0.502490 Mn\n0.751733 0.495650 0.335055 Mn\n0.748684 0.503883 0.830843 Mn\n0.750000 0.500000 0.666667 Mn\n0.752272 0.995464 0.500440 Mn\n0.018442 0.189766 0.180247 O\n0.007849 0.199494 0.516097 O\n0.006186 0.207484 0.848646 O\n0.005404 0.205269 0.320357 O\n0.004805 0.197752 0.653040 O\n0.000448 0.217920 0.984156 O\n0.286272 0.011853 0.250127 O\n0.279102 0.025015 0.584038 O\n0.280111 0.022627 0.917407 O\n0.210199 0.294390 0.015866 O\n0.204061 0.299473 0.152761 O\n0.215138 0.285837 0.348297 O\n0.214509 0.284682 0.483224 O\n0.208783 0.294462 0.819636 O\n0.205071 0.276203 0.680059 O\n0.190236 0.527830 0.249249 O\n0.197092 0.522830 0.917425 O\n0.215396 0.502298 0.575985 O\n0.309764 0.472170 0.084084 O\n0.302908 0.477170 0.415909 O\n0.284604 0.497702 0.757348 O\n0.507849 0.199494 0.317237 O\n0.504805 0.197752 0.180293 O\n0.506186 0.207484 0.984687 O\n0.518442 0.189766 0.653086 O\n0.505404 0.205269 0.512977 O\n0.500448 0.217920 0.849177 O\n0.289801 0.705610 0.317468 O\n0.295939 0.700527 0.180572 O\n0.291217 0.705538 0.513698 O\n0.285491 0.715318 0.850109 O\n0.284862 0.714163 0.985036 O\n0.294929 0.723796 0.653274 O\n0.219889 0.977373 0.415927 O\n0.213728 0.988147 0.083206 O\n0.220898 0.974985 0.749295 O\n0.779102 0.025015 0.249295 O\n0.786272 0.011853 0.583206 O\n0.780111 0.022627 0.915927 O\n0.708783 0.294462 0.013698 O\n0.714509 0.284682 0.350109 O\n0.704061 0.299473 0.680572 O\n0.715138 0.285837 0.485036 O\n0.705071 0.276203 0.153274 O\n0.710199 0.294390 0.817468 O\n0.481558 0.810234 0.153086 O\n0.499552 0.782080 0.349177 O\n0.493814 0.792516 0.484687 O\n0.495195 0.802248 0.680293 O\n0.492151 0.800506 0.817237 O\n0.494596 0.794731 0.012977 O\n0.715396 0.502298 0.257348 O\n0.690236 0.527830 0.584084 O\n0.697092 0.522830 0.915909 O\n0.784604 0.497702 0.075985 O\n0.802908 0.477170 0.417425 O\n0.809764 0.472170 0.749249 O\n0.789801 0.705610 0.515866 O\n0.791217 0.705538 0.319636 O\n0.795939 0.700527 0.652761 O\n0.794929 0.723796 0.180059 O\n0.784862 0.714163 0.848297 O\n0.785491 0.715318 0.983224 O\n0.719889 0.977373 0.417407 O\n0.720898 0.974985 0.084038 O\n0.713728 0.988147 0.750127 O\n0.992151 0.800506 0.016097 O\n0.995195 0.802248 0.153040 O\n0.993814 0.792516 0.348646 O\n0.999552 0.782080 0.484156 O\n0.981558 0.810234 0.680247 O\n0.994596 0.794731 0.820357 O\n",
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"formula_full": "Pr24 Mn22 O72",
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{
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"structure_string": "Y24 O20 F32\n1.0\n5.613801 0.000000 0.000000\n0.000000 5.487384 0.000000\n0.000000 0.061688 33.536949\nY O F\n24 20 32\ndirect\n0.251793 0.710368 0.999958 Y\n0.248207 0.710368 0.499958 Y\n0.713495 0.722572 0.749290 Y\n0.786505 0.722572 0.249290 Y\n0.213190 0.707672 0.335766 Y\n0.261247 0.711389 0.664126 Y\n0.238753 0.711389 0.164126 Y\n0.286810 0.707672 0.835766 Y\n0.727938 0.703202 0.917898 Y\n0.722587 0.702280 0.582372 Y\n0.772062 0.703202 0.417898 Y\n0.777413 0.702280 0.082372 Y\n0.222587 0.297720 0.917628 Y\n0.272062 0.296798 0.082102 Y\n0.227938 0.296798 0.582102 Y\n0.277413 0.297720 0.417628 Y\n0.761247 0.288611 0.835874 Y\n0.713190 0.292328 0.164234 Y\n0.738753 0.288611 0.335874 Y\n0.786810 0.292328 0.664234 Y\n0.286505 0.277428 0.250710 Y\n0.213495 0.277428 0.750710 Y\n0.751793 0.289632 0.500042 Y\n0.748207 0.289632 0.000042 Y\n0.992229 0.536238 0.710483 O\n0.507771 0.536238 0.210483 O\n0.493211 0.531070 0.125179 O\n0.493117 0.530068 0.372541 O\n0.006789 0.531070 0.625179 O\n0.006883 0.530068 0.872541 O\n0.523446 0.515445 0.458141 O\n0.524283 0.515842 0.041784 O\n0.976554 0.515445 0.958141 O\n0.975717 0.515842 0.541784 O\n0.024283 0.484158 0.458216 O\n0.475717 0.484158 0.958216 O\n0.476554 0.484555 0.541859 O\n0.023446 0.484555 0.041859 O\n0.993117 0.469932 0.127459 O\n0.993211 0.468930 0.374821 O\n0.506883 0.469932 0.627459 O\n0.506789 0.468930 0.874821 O\n0.492229 0.463762 0.789517 O\n0.007771 0.463762 0.289517 O\n0.581833 0.973280 0.963511 F\n0.581918 0.974845 0.536610 F\n0.918167 0.973280 0.463511 F\n0.918082 0.974845 0.036610 F\n0.386468 0.946225 0.888673 F\n0.381215 0.943217 0.610572 F\n0.113532 0.946225 0.388673 F\n0.118785 0.943217 0.110572 F\n0.642110 0.908357 0.816274 F\n0.632149 0.908443 0.684919 F\n0.867851 0.908443 0.184919 F\n0.857890 0.908357 0.316274 F\n0.345976 0.893969 0.748769 F\n0.154024 0.893969 0.248769 F\n0.508149 0.547797 0.291718 F\n0.991851 0.547797 0.791718 F\n0.491851 0.452203 0.708282 F\n0.008149 0.452203 0.208282 F\n0.654024 0.106031 0.251231 F\n0.845976 0.106031 0.751231 F\n0.132149 0.091557 0.815081 F\n0.357890 0.091643 0.183726 F\n0.142110 0.091643 0.683726 F\n0.367851 0.091557 0.315081 F\n0.618785 0.056783 0.389428 F\n0.881215 0.056783 0.889428 F\n0.613532 0.053775 0.111327 F\n0.886468 0.053775 0.611327 F\n0.081918 0.025155 0.963390 F\n0.081833 0.026720 0.536489 F\n0.418082 0.025155 0.463390 F\n0.418167 0.026720 0.036489 F\n",
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{
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{
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"structure_string": "Li4 V4 Sn2 O12\n1.0\n-2.656838 4.628765 0.000068\n0.000232 0.000320 10.331501\n5.337069 0.029182 0.000108\nLi V Sn O\n4 4 2 12\ndirect\n0.641346 0.749889 0.141092 Li\n0.858887 0.250122 0.358655 Li\n0.141386 0.749718 0.641826 Li\n0.358181 0.250285 0.858635 Li\n0.335814 0.999993 0.664204 V\n0.163464 0.500034 0.836734 V\n0.835711 0.499998 0.164154 V\n0.664276 0.999993 0.335751 V\n0.999819 0.999981 0.000089 Sn\n0.500103 0.500055 0.499927 Sn\n0.165922 0.596961 0.164806 O\n0.334330 0.096852 0.334679 O\n0.665344 0.903127 0.665710 O\n0.835185 0.402992 0.834069 O\n0.664806 0.108930 0.016315 O\n0.335643 0.891334 0.984220 O\n0.516526 0.391306 0.163815 O\n0.836262 0.608605 0.483455 O\n0.983662 0.891104 0.335210 O\n0.164235 0.391807 0.516634 O\n0.483310 0.608220 0.835667 O\n0.015787 0.108693 0.664353 O\n",
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{
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"structure_string": "Nb6 Te8\n1.0\n5.419717 -9.387226 0.000000\n5.419717 9.387226 0.000000\n0.000000 0.000000 3.663095\nNb Te\n6 8\ndirect\n0.102652 0.614101 0.750000 Nb\n0.385899 0.488551 0.750000 Nb\n0.511449 0.897348 0.750000 Nb\n0.897348 0.385899 0.250000 Nb\n0.614101 0.511449 0.250000 Nb\n0.488551 0.102652 0.250000 Nb\n0.666667 0.333333 0.750000 Te\n0.333333 0.666667 0.250000 Te\n0.273248 0.934755 0.750000 Te\n0.065245 0.338493 0.750000 Te\n0.661507 0.726752 0.750000 Te\n0.726752 0.065245 0.250000 Te\n0.934755 0.661507 0.250000 Te\n0.338493 0.273248 0.250000 Te\n",
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