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{
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{
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{
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"structure_string": "Mn2 Pb6 N6\n1.0\n7.590242 -0.000374 0.000000\n-3.795441 6.573949 0.000000\n0.000000 0.000000 5.419053\nMn Pb N\n2 6 6\ndirect\n0.666690 0.333397 0.750000 Mn\n0.333310 0.666603 0.250000 Mn\n0.896609 0.635779 0.250000 Pb\n0.739203 0.103424 0.250000 Pb\n0.364260 0.260820 0.250000 Pb\n0.103391 0.364221 0.750000 Pb\n0.260797 0.896576 0.750000 Pb\n0.635740 0.739180 0.750000 Pb\n0.876359 0.573769 0.750000 N\n0.697394 0.123636 0.750000 N\n0.426228 0.302553 0.750000 N\n0.123641 0.426231 0.250000 N\n0.302606 0.876364 0.250000 N\n0.573772 0.697447 0.250000 N\n",
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"formula_full": "Mn2 Pb6 N6",
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{
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{
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"created_at": "2022-09-04T14:42:57.368632Z",
"structure_string": "Nb1 Cu3 P4 O16\n1.0\n5.005408 0.050758 0.000000\n0.113942 9.898637 0.000000\n0.000000 0.000000 6.040113\nNb Cu P O\n1 3 4 16\ndirect\n0.967888 0.281221 0.250000 Nb\n0.051090 0.722509 0.750000 Cu\n0.394843 0.202984 0.750000 Cu\n0.588876 0.784279 0.250000 Cu\n0.088566 0.612605 0.250000 P\n0.403858 0.091114 0.250000 P\n0.577993 0.898286 0.750000 P\n0.933455 0.406173 0.750000 P\n0.144674 0.449399 0.250000 O\n0.227880 0.669360 0.045051 O\n0.227880 0.669360 0.454949 O\n0.234330 0.378136 0.750000 O\n0.275001 0.881513 0.750000 O\n0.244774 0.167546 0.057791 O\n0.244774 0.167546 0.442209 O\n0.361496 0.941703 0.250000 O\n0.629943 0.052506 0.750000 O\n0.732779 0.828415 0.552539 O\n0.732779 0.828415 0.947461 O\n0.696469 0.133262 0.250000 O\n0.782386 0.618705 0.250000 O\n0.804885 0.330946 0.541692 O\n0.804885 0.330946 0.958308 O\n0.848499 0.553073 0.750000 O\n",
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{
"id": "mp-1191688",
"created_at": "2022-09-04T14:42:57.421278Z",
"structure_string": "Hg6 N4 Cl12\n1.0\n5.543590 0.000000 0.000000\n0.000000 8.148054 0.000000\n0.000000 0.000000 12.678044\nHg N Cl\n6 4 12\ndirect\n0.500000 0.349138 0.129090 Hg\n0.500000 0.650862 0.870910 Hg\n0.000000 0.349138 0.370910 Hg\n0.000000 0.650862 0.629090 Hg\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n0.500000 0.827016 0.371703 N\n0.500000 0.172984 0.628297 N\n0.000000 0.827016 0.128297 N\n0.000000 0.172984 0.871703 N\n0.500000 0.055078 0.136163 Cl\n0.500000 0.944922 0.863837 Cl\n0.000000 0.055078 0.363837 Cl\n0.000000 0.944922 0.636163 Cl\n0.500000 0.641804 0.123883 Cl\n0.500000 0.358196 0.876117 Cl\n0.000000 0.641804 0.376117 Cl\n0.000000 0.358196 0.623883 Cl\n0.500000 0.339772 0.375621 Cl\n0.500000 0.660228 0.624379 Cl\n0.000000 0.339772 0.124379 Cl\n0.000000 0.660228 0.875621 Cl\n",
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"formula_full": "Hg6 N4 Cl12",
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{
"id": "mp-531110",
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"structure_string": "Ca18 Pr2 F40\n1.0\n7.839772 0.000000 0.000000\n-1.964588 8.613741 0.000000\n-0.024715 -2.768028 12.729182\nCa Pr F\n18 2 40\ndirect\n0.521787 0.596194 0.649654 Ca\n0.026086 0.595495 0.648952 Ca\n0.327473 0.799167 0.453228 Ca\n0.672527 0.200833 0.546772 Ca\n0.624246 0.000063 0.250121 Ca\n0.821805 0.798468 0.451394 Ca\n0.973914 0.404505 0.351048 Ca\n0.922842 0.202791 0.049022 Ca\n0.178195 0.201532 0.548606 Ca\n0.276386 0.595574 0.149947 Ca\n0.228757 0.403782 0.851345 Ca\n0.478213 0.403806 0.350346 Ca\n0.427279 0.199678 0.046381 Ca\n0.572721 0.800322 0.953619 Ca\n0.771243 0.596218 0.148655 Ca\n0.723614 0.404426 0.850053 Ca\n0.077158 0.797209 0.950978 Ca\n0.375754 0.999937 0.749879 Ca\n0.126855 0.999836 0.249720 Pr\n0.873145 0.000164 0.750280 Pr\n0.810263 0.740001 0.624166 F\n0.109859 0.942838 0.428494 F\n0.387054 0.050661 0.575366 F\n0.312091 0.748655 0.625390 F\n0.462409 0.350908 0.524551 F\n0.687909 0.251345 0.374610 F\n0.612946 0.949339 0.424634 F\n0.890141 0.057162 0.571506 F\n0.910384 0.157434 0.223954 F\n0.963259 0.351238 0.524687 F\n0.036741 0.648762 0.475313 F\n0.986578 0.449248 0.175000 F\n0.213645 0.351945 0.024829 F\n0.189737 0.259999 0.375834 F\n0.262961 0.549911 0.325289 F\n0.339890 0.840855 0.276899 F\n0.287950 0.649599 0.975529 F\n0.419675 0.159735 0.223174 F\n0.537591 0.649092 0.475449 F\n0.562235 0.749339 0.125629 F\n0.638048 0.050872 0.075509 F\n0.511806 0.549411 0.825691 F\n0.488194 0.450589 0.174309 F\n0.762065 0.550299 0.325576 F\n0.712050 0.350401 0.024471 F\n0.831753 0.842055 0.276217 F\n0.786355 0.648055 0.975171 F\n0.861503 0.942617 0.928716 F\n0.059430 0.739132 0.123994 F\n0.013422 0.550752 0.825000 F\n0.138497 0.057383 0.071284 F\n0.089616 0.842566 0.776046 F\n0.168247 0.157945 0.723783 F\n0.361952 0.949128 0.924491 F\n0.437765 0.250661 0.874371 F\n0.580325 0.840265 0.776826 F\n0.660110 0.159145 0.723101 F\n0.737039 0.450089 0.674711 F\n0.940570 0.260868 0.876006 F\n0.237935 0.449701 0.674424 F\n",
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{
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