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{
"id": "mp-1211309",
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"structure_string": "Th8 B16 Ru16\n1.0\n6.466321 0.000000 0.000000\n0.000000 6.466321 0.000000\n-3.233161 -3.233161 13.968128\nTh B Ru\n8 16 16\ndirect\n0.125000 0.375000 0.250000 Th\n0.125000 0.875000 0.250000 Th\n0.125000 0.875000 0.750000 Th\n0.625000 0.375000 0.250000 Th\n0.625000 0.875000 0.750000 Th\n0.625000 0.875000 0.250000 Th\n0.625000 0.375000 0.750000 Th\n0.125000 0.375000 0.750000 Th\n0.415592 0.248402 0.559479 B\n0.143887 0.311077 0.559479 B\n0.561077 0.165592 0.059479 B\n0.334408 0.938923 0.940521 B\n0.834408 0.501598 0.940521 B\n0.498402 0.893887 0.059479 B\n0.606113 0.001598 0.940521 B\n0.106113 0.438923 0.940521 B\n0.188923 0.356113 0.440521 B\n0.688923 0.584408 0.440521 B\n0.251598 0.084408 0.440521 B\n0.751598 0.856113 0.440521 B\n0.915592 0.811077 0.559479 B\n0.643887 0.748402 0.559479 B\n0.998402 0.665592 0.059479 B\n0.061077 0.393887 0.059479 B\n0.513157 0.285829 0.430204 Ru\n0.917048 0.144375 0.430204 Ru\n0.394375 0.263157 0.930204 Ru\n0.236843 0.105625 0.069796 Ru\n0.736843 0.464171 0.069796 Ru\n0.535829 0.667048 0.930204 Ru\n0.832952 0.964171 0.069796 Ru\n0.332952 0.605625 0.069796 Ru\n0.355625 0.582952 0.569796 Ru\n0.855625 0.486843 0.569796 Ru\n0.214171 0.986843 0.569796 Ru\n0.714171 0.082952 0.569796 Ru\n0.013157 0.644375 0.430204 Ru\n0.417048 0.785829 0.430204 Ru\n0.035829 0.763157 0.930204 Ru\n0.894375 0.167048 0.930204 Ru\n",
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{
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"structure_string": "Li2 Ni2 H24 S4 O28\n1.0\n11.523735 0.000000 0.000000\n0.000000 5.898454 0.000000\n0.000000 2.078304 8.455598\nLi Ni H S O\n2 2 24 4 28\ndirect\n0.124162 0.653289 0.385153 Li\n0.624162 0.346711 0.614847 Li\n0.001076 0.997505 0.750357 Ni\n0.501076 0.002495 0.249643 Ni\n0.807938 0.016219 0.877941 H\n0.854901 0.669743 0.783143 H\n0.058165 0.316083 0.865742 H\n0.400314 0.065669 0.980921 H\n0.626918 0.089397 0.992463 H\n0.091850 0.672166 0.963955 H\n0.591850 0.327834 0.036045 H\n0.126918 0.910603 0.007537 H\n0.900314 0.934331 0.019079 H\n0.558165 0.683917 0.134258 H\n0.354901 0.330257 0.216857 H\n0.307938 0.983781 0.122059 H\n0.694268 0.019321 0.386202 H\n0.646597 0.674988 0.284315 H\n0.447883 0.318964 0.363278 H\n0.097433 0.078303 0.480383 H\n0.871424 0.090198 0.496415 H\n0.415936 0.674379 0.463633 H\n0.915936 0.325621 0.536367 H\n0.371424 0.909802 0.503585 H\n0.597433 0.921697 0.519617 H\n0.947883 0.681036 0.636722 H\n0.146597 0.325012 0.715685 H\n0.194268 0.980679 0.613798 H\n0.634407 0.726406 0.824368 S\n0.134407 0.273594 0.175632 S\n0.865709 0.726868 0.341410 S\n0.365709 0.273132 0.658590 S\n0.420679 0.247049 0.813654 O\n0.940233 0.708721 0.746536 O\n0.888995 0.041174 0.911215 O\n0.738672 0.576059 0.823657 O\n0.669489 0.970874 0.829984 O\n0.116018 0.836724 0.917540 O\n0.563087 0.621263 0.965677 O\n0.063087 0.378737 0.034323 O\n0.616018 0.163276 0.082460 O\n0.169489 0.029126 0.170016 O\n0.238672 0.423941 0.176343 O\n0.388995 0.958826 0.088785 O\n0.440233 0.291279 0.253464 O\n0.920679 0.752951 0.186346 O\n0.067873 0.266823 0.322443 O\n0.563865 0.712157 0.244476 O\n0.612069 0.045429 0.418407 O\n0.763722 0.566992 0.365275 O\n0.828435 0.956972 0.367499 O\n0.385082 0.831945 0.414322 O\n0.956980 0.623259 0.464834 O\n0.456980 0.376741 0.535166 O\n0.885082 0.168055 0.585678 O\n0.328435 0.043028 0.632501 O\n0.263722 0.433008 0.634725 O\n0.112069 0.954571 0.581593 O\n0.063865 0.287843 0.755524 O\n0.567873 0.733177 0.677557 O\n",
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"spacegroup": 4
},
{
"id": "mp-1076512",
"created_at": "2022-09-04T14:41:21.635788Z",
"structure_string": "K5 Na3 Ta3 Nb5 O24\n1.0\n-8.052316 0.000000 0.000000\n0.000208 -8.052934 0.000000\n0.000233 0.000197 8.053724\nK Na Ta Nb O\n5 3 3 5 24\ndirect\n0.749952 0.749954 0.250130 K\n0.749951 0.749952 0.749871 K\n0.749948 0.250052 0.250126 K\n0.749946 0.250040 0.749869 K\n0.250061 0.250051 0.749868 K\n0.250005 0.749994 0.250014 Na\n0.250005 0.749994 0.749983 Na\n0.250005 0.250007 0.250015 Na\n0.000706 0.999765 0.000239 Ta\n0.499290 0.999757 0.000238 Ta\n0.000732 0.500236 0.000239 Ta\n0.000690 0.999773 0.499776 Nb\n0.499309 0.999773 0.499778 Nb\n0.499330 0.500221 0.000223 Nb\n0.000685 0.500229 0.499778 Nb\n0.499311 0.500228 0.499768 Nb\n0.001533 0.750084 0.000073 O\n0.498477 0.751074 0.000071 O\n0.001511 0.750009 0.499930 O\n0.498483 0.750082 0.499932 O\n0.000890 0.249915 0.000734 O\n0.499119 0.248914 0.000733 O\n0.000867 0.249992 0.499274 O\n0.499131 0.249916 0.499271 O\n0.001524 0.999929 0.248758 O\n0.498471 0.999931 0.248838 O\n0.000879 0.999265 0.751258 O\n0.499117 0.999263 0.751176 O\n0.001527 0.500070 0.248838 O\n0.498488 0.500067 0.249828 O\n0.000880 0.500735 0.751177 O\n0.499131 0.500729 0.750178 O\n0.750087 0.999921 0.000078 O\n0.249917 0.999277 0.000722 O\n0.750006 0.999930 0.499926 O\n0.249991 0.999287 0.499286 O\n0.751097 0.500075 0.000073 O\n0.248943 0.500720 0.000721 O\n0.750087 0.500071 0.499929 O\n0.249920 0.500718 0.499282 O\n",
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"formula_full": "K5 Na3 Ta3 Nb5 O24",
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},
{
"id": "mp-1227224",
"created_at": "2022-09-04T14:42:49.100978Z",
"structure_string": "Ca4 La4 Nb4 Co4 O24\n1.0\n5.567872 -0.001072 -0.008902\n-0.003143 11.489772 0.001377\n-0.032635 0.000373 7.982530\nCa La Nb Co O\n4 4 4 4 24\ndirect\n0.485442 0.277334 0.252520 Ca\n0.485542 0.777326 0.252520 Ca\n0.985322 0.472719 0.752632 Ca\n0.985398 0.972755 0.752664 Ca\n0.511841 0.223936 0.747488 La\n0.512298 0.723806 0.747385 La\n0.011898 0.026076 0.247472 La\n0.011891 0.526016 0.247515 La\n0.999813 0.252573 0.498545 Nb\n0.000343 0.752644 0.498495 Nb\n0.499753 0.497382 0.998431 Nb\n0.499747 0.997438 0.998531 Nb\n0.000609 0.749583 0.000241 Co\n0.500806 0.500416 0.500112 Co\n0.000549 0.249555 0.000194 Co\n0.501034 0.000503 0.500203 Co\n0.292942 0.153435 0.452882 O\n0.293370 0.653427 0.452673 O\n0.793458 0.096474 0.952636 O\n0.793222 0.596230 0.952548 O\n0.709103 0.350799 0.547010 O\n0.709716 0.850841 0.547091 O\n0.208412 0.399387 0.047019 O\n0.208812 0.899482 0.047214 O\n0.196965 0.394759 0.446740 O\n0.197354 0.894716 0.446714 O\n0.696085 0.354942 0.947160 O\n0.696245 0.855081 0.947001 O\n0.808442 0.107236 0.554731 O\n0.808720 0.607111 0.554467 O\n0.309011 0.143065 0.054528 O\n0.308820 0.642881 0.054347 O\n0.593362 0.482093 0.243248 O\n0.593789 0.982081 0.243106 O\n0.093378 0.268049 0.743318 O\n0.093684 0.767892 0.743327 O\n0.400514 0.015278 0.756917 O\n0.400731 0.515063 0.756721 O\n0.900682 0.234846 0.256841 O\n0.900896 0.734770 0.256812 O\n",
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{
"id": "mp-753625",
"created_at": "2022-09-04T14:43:10.420786Z",
"structure_string": "Li32 Mn4 O20 F4\n1.0\n2.433666 -4.783234 0.128284\n16.193214 7.156543 4.391079\n-2.750284 1.270080 5.185749\nLi Mn O F\n32 4 20 4\ndirect\n0.504993 0.028903 0.332858 Li\n0.754982 0.278918 0.082865 Li\n0.004956 0.528905 0.832840 Li\n0.254933 0.778921 0.582843 Li\n0.361148 0.131829 0.520103 Li\n0.611112 0.381834 0.270070 Li\n0.861151 0.631813 0.020037 Li\n0.111093 0.881832 0.770053 Li\n0.950031 0.059775 0.587376 Li\n0.200049 0.309789 0.337388 Li\n0.450022 0.559773 0.087275 Li\n0.700045 0.809793 0.837345 Li\n0.436612 0.074338 0.937063 Li\n0.686611 0.324348 0.687078 Li\n0.936624 0.574339 0.437089 Li\n0.186593 0.824351 0.187092 Li\n0.828917 0.166251 0.799797 Li\n0.078934 0.416250 0.549811 Li\n0.328896 0.666259 0.299823 Li\n0.578946 0.916246 0.049804 Li\n0.285654 0.191463 0.156298 Li\n0.535675 0.441464 0.906256 Li\n0.785662 0.691467 0.656292 Li\n0.035672 0.941450 0.406281 Li\n0.911164 0.117220 0.251842 Li\n0.161177 0.367220 0.001838 Li\n0.411143 0.617218 0.751832 Li\n0.661211 0.867204 0.501823 Li\n0.742561 0.224782 0.427278 Li\n0.992514 0.474760 0.177215 Li\n0.242484 0.724776 0.927201 Li\n0.492577 0.974768 0.677278 Li\n0.473033 0.505407 0.473413 Mn\n0.723246 0.755302 0.223596 Mn\n0.973327 0.005347 0.973690 Mn\n0.223313 0.255343 0.723707 Mn\n0.647836 0.066644 0.692991 O\n0.897826 0.316639 0.442995 O\n0.147777 0.566658 0.192954 O\n0.397765 0.816634 0.942947 O\n0.202907 0.090468 0.149119 O\n0.452973 0.340491 0.899082 O\n0.702881 0.590480 0.649102 O\n0.952898 0.840449 0.399009 O\n0.795118 0.015896 0.215834 O\n0.045041 0.265932 0.965796 O\n0.295066 0.515915 0.715794 O\n0.545065 0.765858 0.465795 O\n0.442879 0.234229 0.522152 O\n0.692873 0.484245 0.272034 O\n0.942873 0.734201 0.022020 O\n0.192955 0.984217 0.772248 O\n0.044648 0.160272 0.591635 O\n0.294545 0.410265 0.341564 O\n0.544508 0.660208 0.091522 O\n0.794561 0.910252 0.841601 O\n0.622475 0.182614 0.092384 F\n0.872471 0.432623 0.842301 F\n0.122459 0.682608 0.592371 F\n0.372539 0.932548 0.342291 F\n",
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{
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"structure_string": "Ca6 Ni6 As8 O32\n1.0\n5.121819 0.000000 0.000000\n0.000000 9.192816 0.000000\n0.000000 7.667584 15.430684\nCa Ni As O\n6 6 8 32\ndirect\n0.535488 0.310669 0.229635 Ca\n0.035488 0.689331 0.270365 Ca\n0.464512 0.689331 0.770365 Ca\n0.964512 0.310669 0.729635 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.482255 0.197408 0.621925 Ni\n0.517745 0.802592 0.378075 Ni\n0.982255 0.802592 0.878075 Ni\n0.017745 0.197408 0.121925 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.009690 0.039264 0.341186 As\n0.488200 0.435874 0.405426 As\n0.988200 0.564126 0.094574 As\n0.011800 0.435874 0.905426 As\n0.990310 0.960736 0.658814 As\n0.511800 0.564126 0.594574 As\n0.490310 0.039264 0.841186 As\n0.509690 0.960736 0.158814 As\n0.452220 0.807852 0.262314 O\n0.936740 0.746540 0.005995 O\n0.388102 0.435845 0.312163 O\n0.400166 0.144222 0.151788 O\n0.611898 0.564155 0.687837 O\n0.047780 0.807852 0.762314 O\n0.888102 0.564155 0.187837 O\n0.695265 0.508300 0.899028 O\n0.646718 0.101297 0.907288 O\n0.547780 0.192148 0.737686 O\n0.099834 0.144222 0.651788 O\n0.304735 0.491700 0.100972 O\n0.298568 0.582717 0.418361 O\n0.353282 0.898703 0.092712 O\n0.653012 0.976962 0.641899 O\n0.153012 0.023038 0.858101 O\n0.798568 0.417283 0.081639 O\n0.111898 0.435845 0.812163 O\n0.146718 0.898703 0.592712 O\n0.195265 0.491700 0.600972 O\n0.846988 0.976962 0.141899 O\n0.346988 0.023038 0.358101 O\n0.063260 0.253460 0.994005 O\n0.436740 0.253460 0.494005 O\n0.701432 0.417283 0.581639 O\n0.952220 0.192148 0.237686 O\n0.599834 0.855778 0.848212 O\n0.853282 0.101297 0.407288 O\n0.563260 0.746540 0.505995 O\n0.804735 0.508300 0.399028 O\n0.201432 0.582717 0.918361 O\n0.900166 0.855778 0.348212 O\n",
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{
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