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{
"id": "mp-1198601",
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{
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"structure_string": "Ce3 Ge6 Pd20\n1.0\n0.000000 6.279102 6.279102\n6.279102 0.000000 6.279102\n6.279102 6.279102 0.000000\nCe Ge Pd\n3 6 20\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.268655 0.731345 0.268655 Ge\n0.268655 0.268655 0.731345 Ge\n0.268655 0.731345 0.731345 Ge\n0.731345 0.268655 0.731345 Ge\n0.731345 0.268655 0.268655 Ge\n0.731345 0.731345 0.268655 Ge\n0.854764 0.381745 0.381745 Pd\n0.348456 0.651544 0.000000 Pd\n0.348456 0.000000 0.000000 Pd\n0.000000 0.348456 0.651544 Pd\n0.000000 0.348456 0.000000 Pd\n0.381745 0.381745 0.381745 Pd\n0.000000 0.000000 0.348456 Pd\n0.000000 0.651544 0.000000 Pd\n0.000000 0.000000 0.651544 Pd\n0.651544 0.000000 0.348456 Pd\n0.145236 0.618255 0.618255 Pd\n0.618255 0.618255 0.618255 Pd\n0.651544 0.348456 0.000000 Pd\n0.618255 0.145236 0.618255 Pd\n0.651544 0.000000 0.000000 Pd\n0.618255 0.618255 0.145236 Pd\n0.000000 0.651544 0.348456 Pd\n0.348456 0.000000 0.651544 Pd\n0.381745 0.854764 0.381745 Pd\n0.381745 0.381745 0.854764 Pd\n",
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"spacegroup": 225
},
{
"id": "mp-1193555",
"created_at": "2022-09-04T14:42:18.597341Z",
"structure_string": "Sm6 Fe23\n1.0\n-6.060923 -6.060923 0.000000\n-6.060923 0.000000 -6.060923\n0.000000 -6.060923 -6.060923\nSm Fe\n6 23\ndirect\n0.710098 0.289902 0.289902 Sm\n0.710098 0.289902 0.710098 Sm\n0.710098 0.710098 0.289902 Sm\n0.289902 0.710098 0.710098 Sm\n0.289902 0.710098 0.289902 Sm\n0.289902 0.289902 0.710098 Sm\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.633208 0.122264 0.122264 Fe\n0.122264 0.633208 0.122264 Fe\n0.122264 0.122264 0.633208 Fe\n0.122264 0.122264 0.122264 Fe\n0.366792 0.877736 0.877736 Fe\n0.877736 0.366792 0.877736 Fe\n0.877736 0.877736 0.366792 Fe\n0.877736 0.877736 0.877736 Fe\n0.031331 0.322890 0.322890 Fe\n0.322890 0.031331 0.322890 Fe\n0.322890 0.322890 0.031331 Fe\n0.322890 0.322890 0.322890 Fe\n0.968669 0.677110 0.677110 Fe\n0.677110 0.968669 0.677110 Fe\n0.677110 0.677110 0.968669 Fe\n0.677110 0.677110 0.677110 Fe\n",
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{
"id": "mp-752951",
"created_at": "2022-09-04T14:42:18.604166Z",
"structure_string": "Li4 Co4 Si4 O16\n1.0\n4.770926 0.000000 0.000000\n0.000000 5.796183 0.000000\n0.000000 0.000000 10.156443\nLi Co Si O\n4 4 4 16\ndirect\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.517256 0.750000 0.275762 Co\n0.982744 0.750000 0.775762 Co\n0.017256 0.250000 0.224238 Co\n0.482744 0.250000 0.724238 Co\n0.556144 0.250000 0.406627 Si\n0.943856 0.250000 0.906627 Si\n0.056144 0.750000 0.093373 Si\n0.443856 0.750000 0.593373 Si\n0.688860 0.250000 0.554998 O\n0.712026 0.031747 0.327727 O\n0.712026 0.468253 0.327727 O\n0.715858 0.750000 0.100981 O\n0.784142 0.750000 0.600981 O\n0.787974 0.468253 0.827727 O\n0.787974 0.031747 0.827727 O\n0.811140 0.250000 0.054998 O\n0.188860 0.750000 0.945002 O\n0.212026 0.531747 0.172273 O\n0.212026 0.968253 0.172273 O\n0.215858 0.250000 0.399019 O\n0.284142 0.250000 0.899019 O\n0.287974 0.968253 0.672273 O\n0.287974 0.531747 0.672273 O\n0.311140 0.750000 0.445002 O\n",
"nsites": 28,
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"elements": [
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"formula_full": "Li4 Co4 Si4 O16",
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"formula_anonymous": "ABCD4",
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"spacegroup": 62
},
{
"id": "mp-1245730",
"created_at": "2022-09-04T14:42:18.636604Z",
"structure_string": "Sn4 Pb10 N12\n1.0\n6.384463 -0.245980 0.095049\n-3.820644 6.098219 0.000000\n-1.950253 -1.221869 14.342942\nSn Pb N\n4 10 12\ndirect\n0.520814 0.892715 0.586362 Sn\n0.479186 0.371901 0.913638 Sn\n0.479186 0.107285 0.413638 Sn\n0.520814 0.628099 0.086362 Sn\n0.154244 0.786779 0.960825 Pb\n0.845756 0.632535 0.539175 Pb\n0.845756 0.213221 0.039175 Pb\n0.154244 0.367465 0.460825 Pb\n0.240654 0.114296 0.686126 Pb\n0.759346 0.873643 0.813874 Pb\n0.759346 0.885704 0.313874 Pb\n0.240654 0.126357 0.186126 Pb\n0.000000 0.474338 0.750000 Pb\n0.000000 0.525662 0.250000 Pb\n0.779641 0.833674 0.649850 N\n0.220359 0.054034 0.850150 N\n0.220359 0.166326 0.350150 N\n0.779641 0.945966 0.149850 N\n0.202575 0.774422 0.657370 N\n0.797425 0.571848 0.842630 N\n0.797425 0.225578 0.342630 N\n0.202575 0.428152 0.157370 N\n0.629662 0.225381 0.556543 N\n0.370338 0.595719 0.943457 N\n0.370338 0.774619 0.443457 N\n0.629662 0.404281 0.056543 N\n",
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"formula_full": "Sn4 Pb10 N12",
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{
"id": "mp-510445",
"created_at": "2022-09-04T14:42:18.590931Z",
"structure_string": "Ni20 Sn10 P6\n1.0\n6.440208 0.000000 0.000000\n1.055355 8.296935 0.000000\n1.006522 2.825537 9.872183\nNi Sn P\n20 10 6\ndirect\n0.709959 0.274162 0.198943 Ni\n0.658497 0.603276 0.693883 Ni\n0.864855 0.134959 0.625102 Ni\n0.580051 0.917077 0.706717 Ni\n0.143457 0.351102 0.548004 Ni\n0.943223 0.568342 0.873925 Ni\n0.290041 0.725838 0.801057 Ni\n0.267817 0.212619 0.963831 Ni\n0.341503 0.396724 0.306117 Ni\n0.135145 0.865041 0.374898 Ni\n0.500000 0.500000 0.500000 Ni\n0.056825 0.703588 0.202966 Ni\n0.943175 0.296412 0.797034 Ni\n0.397260 0.606558 0.068181 Ni\n0.419949 0.082923 0.293283 Ni\n0.856543 0.648898 0.451996 Ni\n0.732183 0.787381 0.036169 Ni\n0.000000 0.000000 0.000000 Ni\n0.056777 0.431658 0.126075 Ni\n0.602740 0.393442 0.931819 Ni\n0.351671 0.911148 0.130595 Sn\n0.207088 0.048988 0.759141 Sn\n0.792912 0.951012 0.240859 Sn\n0.534443 0.181641 0.497141 Sn\n0.648329 0.088852 0.869405 Sn\n0.465557 0.818359 0.502859 Sn\n0.298812 0.448617 0.741182 Sn\n0.033483 0.184262 0.372438 Sn\n0.966517 0.815738 0.627562 Sn\n0.701188 0.551383 0.258818 Sn\n0.077677 0.719942 0.983128 P\n0.391181 0.315992 0.114021 P\n0.922323 0.280058 0.016872 P\n0.197481 0.593903 0.399713 P\n0.608819 0.684008 0.885979 P\n0.802519 0.406097 0.600287 P\n",
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{
"id": "mp-1274489",
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"structure_string": "Sr8 Nb4 Co4 O24\n1.0\n3.959182 0.000942 4.018632\n0.004373 3.990231 4.015382\n-7.898328 -11.966894 12.032321\nSr Nb Co O\n8 4 4 24\ndirect\n0.494411 0.256219 0.753226 Sr\n0.999246 0.493106 0.501322 Sr\n0.996150 0.007768 0.998310 Sr\n0.507057 0.744798 0.248380 Sr\n0.746689 0.635060 0.874505 Sr\n0.244867 0.870253 0.627275 Sr\n0.251999 0.377729 0.121468 Sr\n0.754047 0.118098 0.376178 Sr\n0.122263 0.948519 0.814624 Nb\n0.617598 0.177984 0.564847 Nb\n0.623094 0.693486 0.059028 Nb\n0.135004 0.430394 0.311590 Nb\n0.372974 0.320380 0.937104 Co\n0.870322 0.562039 0.689207 Co\n0.879749 0.060187 0.185899 Co\n0.374798 0.807216 0.437880 Co\n0.250938 0.138983 0.877219 O\n0.733846 0.351080 0.629578 O\n0.725184 0.888431 0.124469 O\n0.272951 0.627197 0.373120 O\n0.009476 0.772048 0.748473 O\n0.479398 0.979389 0.503467 O\n0.496398 0.503007 0.996706 O\n0.036122 0.234936 0.247564 O\n0.998801 0.274715 0.753663 O\n0.490637 0.479172 0.501158 O\n0.500342 0.011465 0.995631 O\n0.044015 0.724626 0.244366 O\n0.245980 0.632187 0.876627 O\n0.743237 0.846317 0.624852 O\n0.720609 0.399903 0.125811 O\n0.261274 0.129856 0.377031 O\n0.509937 0.759880 0.752097 O\n0.982057 0.984960 0.499271 O\n0.006313 0.500608 0.999199 O\n0.543742 0.226922 0.254108 O\n0.740831 0.139657 0.875873 O\n0.227890 0.364657 0.626959 O\n0.221965 0.899038 0.117432 O\n0.767788 0.627729 0.374481 O\n",
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{
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"structure_string": "Co4 Bi8 S4 O28\n1.0\n5.442990 0.000000 0.000000\n0.000000 7.292296 0.000000\n0.000000 0.000000 16.032619\nCo Bi S O\n4 8 4 28\ndirect\n0.250000 0.946076 0.673294 Co\n0.250000 0.053924 0.173294 Co\n0.750000 0.053924 0.326706 Co\n0.750000 0.946076 0.826706 Co\n0.750000 0.831687 0.518759 Bi\n0.750000 0.225551 0.659052 Bi\n0.250000 0.225551 0.840948 Bi\n0.750000 0.774449 0.159052 Bi\n0.750000 0.168313 0.018759 Bi\n0.250000 0.774449 0.340948 Bi\n0.250000 0.831687 0.981241 Bi\n0.250000 0.168313 0.481241 Bi\n0.250000 0.593677 0.609949 S\n0.750000 0.406323 0.390051 S\n0.250000 0.406323 0.109949 S\n0.750000 0.593677 0.890051 S\n0.030121 0.311423 0.147108 O\n0.030121 0.688577 0.647108 O\n0.750000 0.604728 0.367135 O\n0.500000 0.921005 0.250000 O\n0.469879 0.688577 0.647108 O\n0.530121 0.688577 0.852892 O\n0.995945 0.045177 0.581731 O\n0.004055 0.954823 0.418269 O\n0.504055 0.045177 0.581731 O\n0.500000 0.078995 0.750000 O\n0.495945 0.954823 0.418269 O\n0.969879 0.688577 0.852892 O\n0.000000 0.078995 0.750000 O\n0.250000 0.615859 0.517607 O\n0.504055 0.954823 0.081731 O\n0.530121 0.311423 0.352892 O\n0.750000 0.384141 0.482393 O\n0.969879 0.311423 0.352892 O\n0.250000 0.604728 0.132865 O\n0.750000 0.615859 0.982393 O\n0.750000 0.395272 0.867135 O\n0.000000 0.921005 0.250000 O\n0.469879 0.311423 0.147108 O\n0.250000 0.384141 0.017607 O\n0.995945 0.954823 0.081731 O\n0.495945 0.045177 0.918269 O\n0.004055 0.045177 0.918269 O\n0.250000 0.395272 0.632865 O\n",
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{
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],
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"density": 3.242107020879238,
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"formula_full": "Nb12 Hg2 Br32 O36",
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},
{
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"structure_string": "Ce4 Be4 Si4 H4 O20\n1.0\n5.624872 -0.000097 -1.711786\n0.001554 7.406132 0.001473\n-2.167788 0.000574 9.980172\nCe Be Si H O\n4 4 4 4 20\ndirect\n0.011711 0.015278 0.314297 Ce\n0.011410 0.484581 0.814181 Ce\n0.988590 0.515419 0.185819 Ce\n0.988289 0.984722 0.685703 Ce\n0.568630 0.125334 0.962946 Be\n0.568479 0.374604 0.462942 Be\n0.431521 0.625396 0.537058 Be\n0.431370 0.874666 0.037054 Be\n0.534134 0.725318 0.813455 Si\n0.534382 0.774626 0.313451 Si\n0.465618 0.225374 0.686549 Si\n0.465866 0.274682 0.186545 Si\n0.943482 0.340613 0.499907 H\n0.944079 0.158797 0.000177 H\n0.055921 0.841203 0.999823 H\n0.056518 0.659387 0.500093 H\n0.458421 0.406051 0.586923 O\n0.458739 0.093960 0.087044 O\n0.630007 0.742527 0.684665 O\n0.630146 0.757347 0.184623 O\n0.268261 0.425675 0.069177 O\n0.268177 0.074384 0.569275 O\n0.222942 0.827218 0.224847 O\n0.222707 0.672788 0.724867 O\n0.132359 0.680429 0.434845 O\n0.132118 0.819971 0.934792 O\n0.867882 0.180029 0.065208 O\n0.867641 0.319571 0.565155 O\n0.777293 0.327212 0.275133 O\n0.777058 0.172783 0.775153 O\n0.731823 0.925616 0.430725 O\n0.731739 0.574325 0.930823 O\n0.369854 0.242653 0.815377 O\n0.369993 0.257473 0.315335 O\n0.541261 0.906040 0.912956 O\n0.541579 0.593949 0.413077 O\n",
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{
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"structure_string": "Cr1 Co3 O8\n1.0\n5.025909 -2.842344 0.000000\n5.025909 2.842344 0.000000\n3.418454 0.000000 4.653262\nCr Co O\n1 3 8\ndirect\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.265682 0.265682 0.265682 O\n0.261276 0.261276 0.702429 O\n0.702429 0.261276 0.261276 O\n0.261276 0.702429 0.261276 O\n0.738724 0.297571 0.738724 O\n0.297571 0.738724 0.738724 O\n0.738724 0.738724 0.297571 O\n0.734318 0.734318 0.734318 O\n",
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{
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"structure_string": "Mg4 V4 P8 O28\n1.0\n8.552021 0.000000 0.000000\n0.000000 7.106865 0.000000\n0.000000 3.621255 8.438280\nMg V P O\n4 4 8 28\ndirect\n0.941474 0.697948 0.181700 Mg\n0.441474 0.302052 0.318300 Mg\n0.558526 0.697948 0.681700 Mg\n0.058526 0.302052 0.818300 Mg\n0.073812 0.236654 0.390113 V\n0.926188 0.763346 0.609887 V\n0.573812 0.763346 0.109887 V\n0.426188 0.236654 0.890113 V\n0.733974 0.060989 0.757498 P\n0.223683 0.531629 0.031474 P\n0.766026 0.060989 0.257498 P\n0.276317 0.531629 0.531474 P\n0.233974 0.939011 0.742502 P\n0.723683 0.468371 0.468526 P\n0.776317 0.468371 0.968526 P\n0.266026 0.939011 0.242502 P\n0.175167 0.749469 0.900177 O\n0.611125 0.113904 0.309857 O\n0.888875 0.113904 0.809857 O\n0.384532 0.544088 0.102563 O\n0.824833 0.250531 0.099823 O\n0.100526 0.973719 0.622122 O\n0.615468 0.455912 0.897437 O\n0.090709 0.489956 0.152793 O\n0.273784 0.378679 0.450529 O\n0.899474 0.026281 0.377878 O\n0.399474 0.973719 0.122122 O\n0.762450 0.882036 0.202237 O\n0.262450 0.117964 0.297763 O\n0.324833 0.749469 0.400177 O\n0.600526 0.026281 0.877878 O\n0.111125 0.886096 0.190143 O\n0.237550 0.117964 0.797763 O\n0.909291 0.510044 0.847207 O\n0.226216 0.378679 0.950529 O\n0.773784 0.621321 0.049471 O\n0.884532 0.455912 0.397437 O\n0.409291 0.489956 0.652793 O\n0.590709 0.510044 0.347207 O\n0.388875 0.886096 0.690143 O\n0.737550 0.882036 0.702237 O\n0.115468 0.544088 0.602563 O\n0.726216 0.621321 0.549471 O\n0.675167 0.250531 0.599823 O\n",
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]
}