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{
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{
"id": "mp-862319",
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{
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"structure_string": "Mn14 Pb2 O24\n1.0\n-3.761045 -3.832980 3.788289\n-3.762014 3.833351 -3.788876\n-0.000211 -7.566909 -7.477349\nMn Pb O\n14 2 24\ndirect\n0.749442 0.749922 0.250327 Mn\n0.250704 0.250001 0.749812 Mn\n0.499952 0.000050 0.999957 Mn\n0.999941 0.499934 0.499971 Mn\n0.000200 0.500236 0.999941 Mn\n0.500087 0.000033 0.499967 Mn\n0.250036 0.250726 0.250293 Mn\n0.749762 0.749126 0.749878 Mn\n0.749650 0.250560 0.249625 Mn\n0.250394 0.749975 0.750429 Mn\n0.999890 0.999804 0.500124 Mn\n0.249860 0.750251 0.249865 Mn\n0.750277 0.249518 0.749940 Mn\n0.499833 0.499968 0.000012 Mn\n0.000052 0.000133 0.999904 Pb\n0.500060 0.499822 0.500015 Pb\n0.842977 0.520408 0.346267 O\n0.343376 0.020298 0.846468 O\n0.656677 0.979843 0.153555 O\n0.157002 0.479681 0.653770 O\n0.479623 0.156976 0.346279 O\n0.979825 0.656729 0.846479 O\n0.020210 0.343472 0.153505 O\n0.520385 0.843074 0.653737 O\n0.775034 0.597731 0.091991 O\n0.276344 0.096066 0.589969 O\n0.723681 0.903764 0.410095 O\n0.224865 0.402215 0.907987 O\n0.096091 0.276214 0.410086 O\n0.597732 0.774977 0.907922 O\n0.402104 0.225000 0.092105 O\n0.903778 0.723554 0.590047 O\n0.251894 0.748076 0.433217 O\n0.751569 0.248553 0.933805 O\n0.248508 0.751588 0.066065 O\n0.748062 0.251887 0.566687 O\n0.432856 0.567404 0.252347 O\n0.933277 0.066780 0.751396 O\n0.066751 0.933116 0.248564 O\n0.567243 0.432536 0.747594 O\n",
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"formula_full": "Mn14 Pb2 O24",
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},
{
"id": "mp-867276",
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"structure_string": "Dy1 Cd1 Pd2\n1.0\n0.000000 3.395601 3.395601\n3.395601 0.000000 3.395601\n3.395601 3.395601 0.000000\nDy Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Cd\n0.250000 0.250000 0.250000 Pd\n0.750000 0.750000 0.750000 Pd\n",
"nsites": 4,
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"density": 10.343495071297735,
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"formula_full": "Dy1 Cd1 Pd2",
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"spacegroup": 225
},
{
"id": "mp-1219651",
"created_at": "2022-09-04T14:46:37.778375Z",
"structure_string": "Rb2 Na2 Ca2 Th2 Si16 O40\n1.0\n7.683264 0.000000 0.000000\n0.000000 7.683264 0.000000\n0.000000 0.000000 14.863636\nRb Na Ca Th Si O\n2 2 2 2 16 40\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.250000 Na\n0.000000 0.500000 0.750000 Na\n0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 0.000000 0.250000 Th\n0.000000 0.000000 0.750000 Th\n0.333070 0.262170 0.390638 Si\n0.666930 0.737830 0.390638 Si\n0.733969 0.334974 0.391089 Si\n0.266031 0.665026 0.391089 Si\n0.665026 0.266031 0.891089 Si\n0.334974 0.733969 0.891089 Si\n0.262170 0.333070 0.890638 Si\n0.737830 0.666930 0.890638 Si\n0.665026 0.733969 0.608911 Si\n0.334974 0.266031 0.608911 Si\n0.262170 0.666930 0.609362 Si\n0.737830 0.333070 0.609362 Si\n0.333070 0.737830 0.109362 Si\n0.666930 0.262170 0.109362 Si\n0.733969 0.665026 0.108911 Si\n0.266031 0.334974 0.108911 Si\n0.254581 0.455893 0.362416 O\n0.745419 0.544107 0.362416 O\n0.541400 0.258678 0.363667 O\n0.458600 0.741322 0.363667 O\n0.741322 0.458600 0.863667 O\n0.258678 0.541400 0.863667 O\n0.455893 0.254581 0.862416 O\n0.544107 0.745419 0.862416 O\n0.741322 0.541400 0.636333 O\n0.258678 0.458600 0.636333 O\n0.455893 0.745419 0.637584 O\n0.544107 0.254581 0.637584 O\n0.254581 0.544107 0.137584 O\n0.745419 0.455893 0.137584 O\n0.541400 0.741322 0.136333 O\n0.458600 0.258678 0.136333 O\n0.311816 0.243421 0.500134 O\n0.688184 0.756579 0.500134 O\n0.756579 0.311816 0.499866 O\n0.243421 0.688184 0.499866 O\n0.688184 0.243421 0.999866 O\n0.311816 0.756579 0.999866 O\n0.243421 0.311816 0.000134 O\n0.756579 0.688184 0.000134 O\n0.237273 0.107146 0.339135 O\n0.762727 0.892854 0.339135 O\n0.892833 0.250647 0.336236 O\n0.107167 0.749353 0.336236 O\n0.749353 0.107167 0.836236 O\n0.250647 0.892833 0.836236 O\n0.107146 0.237273 0.839135 O\n0.892854 0.762727 0.839135 O\n0.749353 0.892833 0.663764 O\n0.250647 0.107167 0.663764 O\n0.107146 0.762727 0.660865 O\n0.892854 0.237273 0.660865 O\n0.237273 0.892854 0.160865 O\n0.762727 0.107146 0.160865 O\n0.892833 0.749353 0.163764 O\n0.107167 0.250647 0.163764 O\n",
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"formula_full": "Rb2 Na2 Ca2 Th2 Si16 O40",
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"spacegroup": 112
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{
"id": "mp-1218788",
"created_at": "2022-09-04T14:46:37.784527Z",
"structure_string": "Sr2 Mn3 B2 O10\n1.0\n0.000000 3.392951 0.000000\n0.379701 0.000000 5.797345\n10.658913 0.000000 -0.298870\nSr Mn B O\n2 3 2 10\ndirect\n0.500000 0.148507 0.318286 Sr\n0.000000 0.979756 0.005164 Sr\n0.500000 0.477336 0.991212 Mn\n0.500000 0.814426 0.709738 Mn\n0.000000 0.547125 0.506066 Mn\n0.000000 0.658498 0.227812 B\n0.000000 0.311258 0.759078 B\n0.000000 0.530775 0.689032 O\n0.000000 0.490224 0.324297 O\n0.000000 0.591123 0.102434 O\n0.000000 0.347546 0.886499 O\n0.500000 0.764894 0.886231 O\n0.500000 0.216935 0.090718 O\n0.000000 0.886138 0.251087 O\n0.000000 0.090797 0.713187 O\n0.500000 0.780283 0.526377 O\n0.500000 0.364379 0.512781 O\n",
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"density": 4.12409429789389,
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"formula_full": "Sr2 Mn3 B2 O10",
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{
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"structure_string": "Ta4\n1.0\n22.698565 0.000000 0.000000\n0.000000 22.698565 0.000000\n0.000000 0.000000 2.404058\nTa\n4\ndirect\n0.318632 0.818632 0.000000 Ta\n0.681368 0.181368 0.000000 Ta\n0.818632 0.681368 0.000000 Ta\n0.181368 0.318632 0.000000 Ta\n",
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{
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{
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"structure_string": "Zr16 Mn4 O36\n1.0\n-2.520157 -5.198690 -2.771666\n2.666645 -7.590896 4.987754\n-10.330078 5.417253 5.349221\nZr Mn O\n16 4 36\ndirect\n0.479794 0.319388 0.453299 Zr\n0.979953 0.819403 0.703296 Zr\n0.480036 0.319487 0.953341 Zr\n0.979758 0.819402 0.203340 Zr\n0.539681 0.491946 0.742248 Zr\n0.039531 0.991997 0.992234 Zr\n0.539351 0.491939 0.242259 Zr\n0.039370 0.991891 0.492247 Zr\n0.014438 0.208727 0.287051 Zr\n0.514508 0.708754 0.537154 Zr\n0.014745 0.208832 0.787165 Zr\n0.514492 0.708779 0.037090 Zr\n0.502754 0.105975 0.168241 Zr\n0.002703 0.605913 0.418202 Zr\n0.502821 0.105992 0.668195 Zr\n0.002850 0.606045 0.918267 Zr\n0.978589 0.383641 0.586671 Mn\n0.477999 0.883885 0.836542 Mn\n0.977800 0.384137 0.086453 Mn\n0.478061 0.884032 0.336659 Mn\n0.413562 0.308331 0.610470 O\n0.913686 0.808329 0.860426 O\n0.413737 0.308291 0.110428 O\n0.913540 0.808297 0.360440 O\n0.667096 0.282158 0.298418 O\n0.167119 0.782117 0.548366 O\n0.667469 0.282139 0.798418 O\n0.167173 0.782140 0.048363 O\n0.104050 0.365495 0.438193 O\n0.604076 0.865595 0.688214 O\n0.104175 0.365630 0.938244 O\n0.604039 0.865541 0.188209 O\n0.797506 0.194969 0.489619 O\n0.298213 0.695334 0.739681 O\n0.798238 0.195374 0.989704 O\n0.297476 0.695000 0.239602 O\n0.087890 0.008532 0.334623 O\n0.587923 0.508520 0.584618 O\n0.088022 0.008626 0.834641 O\n0.587964 0.508651 0.084667 O\n0.399867 0.132556 0.321717 O\n0.899912 0.632559 0.571725 O\n0.399648 0.132972 0.821671 O\n0.899877 0.632580 0.071717 O\n0.842557 0.015547 0.135864 O\n0.342513 0.515523 0.385873 O\n0.842563 0.015493 0.635864 O\n0.342610 0.515556 0.885840 O\n0.146272 0.161155 0.142026 O\n0.646154 0.661226 0.392040 O\n0.146105 0.161190 0.641935 O\n0.646331 0.661175 0.892021 O\n0.900814 0.445784 0.254080 O\n0.400788 0.945797 0.504130 O\n0.900956 0.445839 0.754102 O\n0.400850 0.945815 0.004094 O\n",
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{
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"structure_string": "U1 N2 O8\n1.0\n-1.380969 -0.325068 -4.641707\n1.765646 -6.730107 0.662669\n-7.106408 -0.272460 -1.059573\nU N O\n1 2 8\ndirect\n0.500000 0.500000 0.500000 U\n0.814355 0.307184 0.620496 N\n0.185645 0.692816 0.379504 N\n0.888799 0.708349 0.508278 O\n0.111201 0.291651 0.491722 O\n0.727110 0.245628 0.779890 O\n0.272890 0.754372 0.220110 O\n0.739669 0.397811 0.232619 O\n0.260331 0.602189 0.767381 O\n0.884541 0.962212 0.057532 O\n0.115459 0.037788 0.942468 O\n",
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{
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{
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"elements": [
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],
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"formula_full": "K3 Tm1 F6",
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{
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"structure_string": "Na2 Nd4 Os2 O12\n1.0\n5.987013 0.000000 0.000000\n0.000000 5.570899 0.000000\n0.000000 5.425681 8.047551\nNa Nd Os O\n2 4 2 12\ndirect\n0.500000 0.000000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.071689 0.775611 0.746177 Nd\n0.571689 0.224389 0.753823 Nd\n0.428311 0.775611 0.246177 Nd\n0.928311 0.224389 0.253823 Nd\n0.500000 0.500000 0.000000 Os\n0.000000 0.500000 0.500000 Os\n0.718399 0.734075 0.428668 O\n0.218399 0.265925 0.071332 O\n0.281601 0.265925 0.571332 O\n0.781601 0.734075 0.928668 O\n0.052946 0.606200 0.270013 O\n0.552946 0.393800 0.229987 O\n0.947054 0.393800 0.729987 O\n0.447054 0.606200 0.770013 O\n0.327072 0.846405 0.946910 O\n0.827072 0.153595 0.553090 O\n0.672928 0.153595 0.053090 O\n0.172928 0.846405 0.446910 O\n",
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}
]
}