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{
"id": "mp-1197488",
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{
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"created_at": "2022-09-04T14:47:13.056239Z",
"structure_string": "Ni9 Sn2 S2\n1.0\n-1.855707 1.855707 12.580506\n1.855707 -1.855707 12.580506\n1.855707 1.855707 -12.580506\nNi Sn S\n9 2 2\ndirect\n0.499966 0.999966 0.500000 Ni\n0.000034 0.500034 0.500000 Ni\n0.427691 0.427691 0.000000 Ni\n0.572309 0.572309 0.000000 Ni\n0.350817 0.850817 0.500000 Ni\n0.849530 0.349530 0.500000 Ni\n0.650470 0.150470 0.500000 Ni\n0.149183 0.649183 0.500000 Ni\n0.250000 0.750000 0.500000 Ni\n0.925156 0.925156 0.000000 Sn\n0.074844 0.074844 0.000000 Sn\n0.300585 0.300585 0.000000 S\n0.699415 0.699415 0.000000 S\n",
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{
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"structure_string": "Na13 Zr7 Si5 P7 O48\n1.0\n-9.277631 0.000000 0.000000\n4.638003 8.158932 0.000000\n-0.006434 -5.301424 -15.167957\nNa Zr Si P O\n13 7 5 7 48\ndirect\n0.027850 0.042345 0.009860 Na\n0.227395 0.378682 0.075787 Na\n0.498525 0.875675 0.371227 Na\n0.436317 0.223034 0.069385 Na\n0.971200 0.114622 0.181625 Na\n0.551993 0.434046 0.302255 Na\n0.058322 0.305767 0.440617 Na\n0.035885 0.401007 0.898835 Na\n0.009329 0.597980 0.125432 Na\n0.929274 0.682115 0.557880 Na\n0.442828 0.553871 0.694075 Na\n0.062317 0.934555 0.809343 Na\n0.532744 0.793090 0.936317 Na\n0.531945 0.888322 0.174892 Zr\n0.719051 0.865698 0.573371 Zr\n0.029495 0.385618 0.681001 Zr\n0.971564 0.620596 0.326381 Zr\n0.282287 0.133131 0.426217 Zr\n0.472770 0.125805 0.815753 Zr\n0.776252 0.623925 0.926459 Zr\n0.271781 0.017022 0.231547 Si\n0.837606 0.875774 0.375024 Si\n0.761060 0.221120 0.016243 Si\n0.774545 0.526598 0.730646 Si\n0.333954 0.372762 0.872230 Si\n0.730230 0.271871 0.480800 P\n0.675099 0.627288 0.123410 P\n0.227538 0.474586 0.275362 P\n0.267627 0.729969 0.521472 P\n0.223075 0.774540 0.975776 P\n0.161542 0.126084 0.623111 P\n0.730577 0.977463 0.771549 P\n0.379903 0.648252 0.256666 O\n0.332977 0.838463 0.063041 O\n0.201114 0.108338 0.141953 O\n0.644058 0.767137 0.136530 O\n0.332480 0.108102 0.318299 O\n0.431913 0.993393 0.223522 O\n0.747853 0.828163 0.460963 O\n0.719975 0.925026 0.286569 O\n0.665011 0.111804 0.102515 O\n0.718019 0.094688 0.497095 O\n0.554358 0.263926 0.463321 O\n0.514460 0.469003 0.112551 O\n0.025900 0.033431 0.387219 O\n0.878708 0.155726 0.752333 O\n0.936015 0.216702 0.029589 O\n0.781461 0.414241 0.003496 O\n0.812991 0.372863 0.396937 O\n0.843966 0.357379 0.560280 O\n0.796148 0.583897 0.207154 O\n0.717055 0.644678 0.643435 O\n0.143741 0.276404 0.633299 O\n0.770381 0.702846 0.042429 O\n0.841858 0.613391 0.817897 O\n0.929386 0.510791 0.710939 O\n0.086126 0.489925 0.301418 O\n0.149688 0.389056 0.196597 O\n0.236523 0.295782 0.953565 O\n0.855220 0.709929 0.374231 O\n0.295486 0.372363 0.359367 O\n0.225314 0.440961 0.781657 O\n0.167480 0.643876 0.441326 O\n0.188041 0.619919 0.604389 O\n0.201734 0.602740 0.979096 O\n0.051286 0.778340 0.968209 O\n0.125103 0.828007 0.261546 O\n0.980306 0.979466 0.610475 O\n0.523184 0.536690 0.886482 O\n0.450128 0.751564 0.536817 O\n0.267636 0.900735 0.504432 O\n0.303320 0.892738 0.893101 O\n0.260468 0.061323 0.705237 O\n0.239357 0.179997 0.539659 O\n0.577439 0.981171 0.787660 O\n0.680617 0.892095 0.691950 O\n0.357350 0.231296 0.846134 O\n0.800193 0.881053 0.856246 O\n0.639057 0.145872 0.927893 O\n0.610220 0.348471 0.743996 O\n",
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"volume": 1148.147005997896,
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"formula_full": "Na13 Zr7 Si5 P7 O48",
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},
{
"id": "mp-1235576",
"created_at": "2022-09-04T14:47:13.108867Z",
"structure_string": "K2 Li1 Nd4 Nb2 O12\n1.0\n5.764062 0.004718 -0.000919\n-2.876719 6.174384 -1.847984\n-0.001495 -0.119123 9.020122\nK Li Nd Nb O\n2 1 4 2 12\ndirect\n0.115686 0.232520 0.491234 K\n0.883403 0.766748 0.510291 K\n0.663569 0.319838 0.007475 Li\n0.132425 0.262586 0.922700 Nd\n0.573157 0.148587 0.226464 Nd\n0.412712 0.825175 0.796151 Nd\n0.885050 0.771055 0.069351 Nd\n0.660202 0.320477 0.698245 Nb\n0.330600 0.660451 0.286896 Nb\n0.999271 0.532705 0.836552 O\n0.211953 0.896806 0.287546 O\n0.265715 0.014076 0.002032 O\n0.778300 0.094499 0.713018 O\n0.684456 0.896971 0.287439 O\n0.747896 0.015640 0.002293 O\n0.316525 0.094594 0.712677 O\n0.986498 0.464570 0.149521 O\n0.676386 0.352070 0.498200 O\n0.319465 0.638373 0.488573 O\n0.480401 0.464451 0.148930 O\n0.532579 0.533364 0.835841 O\n",
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"density": 5.3983971672789925,
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"formula_full": "K2 Li1 Nd4 Nb2 O12",
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},
{
"id": "mp-1014246",
"created_at": "2022-09-04T14:47:13.122179Z",
"structure_string": "Zr2 B2\n1.0\n1.809894 -3.134828 0.000000\n1.809894 3.134828 0.000000\n0.000000 0.000000 5.225519\nZr B\n2 2\ndirect\n0.333333 0.666667 0.250000 Zr\n0.666667 0.333333 0.750000 Zr\n0.000000 0.000000 0.000000 B\n0.000000 0.000000 0.500000 B\n",
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{
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"structure_string": "Nd8 Cu4 Sn4 O24\n1.0\n0.000000 -7.768119 0.000000\n-7.786810 0.000000 0.328251\n0.053368 0.000000 -8.616679\nNd Cu Sn O\n8 4 4 24\ndirect\n0.750000 0.772773 0.689160 Nd\n0.250000 0.227227 0.310840 Nd\n0.750000 0.291507 0.271441 Nd\n0.250000 0.708493 0.728559 Nd\n0.750000 0.805102 0.251529 Nd\n0.250000 0.194898 0.748471 Nd\n0.750000 0.290954 0.708689 Nd\n0.250000 0.709046 0.291311 Nd\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.000000 0.000000 Sn\n0.500000 0.000000 0.000000 Sn\n0.000000 0.500000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.750000 0.466263 0.493935 O\n0.250000 0.533737 0.506065 O\n0.750000 0.912632 0.955028 O\n0.250000 0.087368 0.044972 O\n0.750000 0.524539 0.095022 O\n0.250000 0.475461 0.904978 O\n0.440968 0.938770 0.771449 O\n0.559032 0.061230 0.228551 O\n0.940968 0.061230 0.228551 O\n0.059032 0.938770 0.771449 O\n0.750000 0.038396 0.537305 O\n0.250000 0.961604 0.462695 O\n0.956156 0.246389 0.912993 O\n0.043844 0.753611 0.087007 O\n0.456156 0.753611 0.087007 O\n0.543844 0.246389 0.912993 O\n0.943518 0.564588 0.776172 O\n0.056482 0.435412 0.223828 O\n0.443518 0.435412 0.223828 O\n0.556482 0.564588 0.776172 O\n0.957971 0.750441 0.457029 O\n0.042029 0.249559 0.542971 O\n0.457971 0.249559 0.542971 O\n0.542029 0.750441 0.457029 O\n",
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{
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"structure_string": "La10 Mg1 Ga9 O30\n1.0\n7.894889 0.000000 0.000000\n-3.777247 -8.775205 0.000000\n-3.889968 0.077247 -8.877195\nLa Mg Ga O\n10 1 9 30\ndirect\n0.154565 0.100534 0.202558 La\n0.749801 0.500446 0.000332 La\n0.650218 0.100356 0.203683 La\n0.349782 0.899644 0.796317 La\n0.250199 0.499554 0.999668 La\n0.946492 0.298286 0.600192 La\n0.845435 0.899466 0.797442 La\n0.548961 0.704403 0.401710 La\n0.451039 0.295597 0.598290 La\n0.053508 0.701714 0.399808 La\n0.500000 0.000000 0.500000 Mg\n0.100052 0.399581 0.299635 Ga\n0.699519 0.798922 0.099484 Ga\n0.599964 0.400425 0.299528 Ga\n0.300481 0.201078 0.900516 Ga\n0.198363 0.799187 0.098474 Ga\n0.899948 0.600419 0.700365 Ga\n0.801637 0.200813 0.901526 Ga\n0.400036 0.599575 0.700472 Ga\n0.000000 0.000000 0.500000 Ga\n0.334675 0.412737 0.256012 O\n0.907178 0.267859 0.113882 O\n0.093297 0.582124 0.168448 O\n0.708839 0.611475 0.227443 O\n0.931378 0.808581 0.053221 O\n0.894271 0.923316 0.284505 O\n0.509326 0.667054 0.915648 O\n0.463868 0.782079 0.141504 O\n0.693151 0.982407 0.969370 O\n0.306849 0.017593 0.030630 O\n0.536132 0.217921 0.858496 O\n0.490674 0.332946 0.084352 O\n0.105729 0.076684 0.715495 O\n0.068622 0.191419 0.946779 O\n0.291161 0.388525 0.772557 O\n0.906703 0.417876 0.831552 O\n0.134759 0.611088 0.657195 O\n0.092822 0.732141 0.886118 O\n0.710246 0.467993 0.515462 O\n0.665325 0.587263 0.743988 O\n0.891960 0.782305 0.572656 O\n0.503006 0.806375 0.628821 O\n0.742906 0.011264 0.458870 O\n0.697882 0.127010 0.692665 O\n0.302118 0.872990 0.307335 O\n0.257094 0.988736 0.541130 O\n0.496994 0.193625 0.371179 O\n0.108040 0.217695 0.427344 O\n0.289754 0.532007 0.484538 O\n0.865241 0.388912 0.342805 O\n",
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{
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"structure_string": "Ca7 Zn2 N6\n1.0\n6.745141 -0.086171 0.039900\n9.875443 5.889243 0.000000\n0.085308 -0.143048 6.110098\nCa Zn N\n7 2 6\ndirect\n0.000000 0.500000 0.000000 Ca\n0.000000 0.352940 0.500000 Ca\n0.000000 0.647060 0.500000 Ca\n0.709989 0.986256 0.823922 Ca\n0.709989 0.303755 0.823922 Ca\n0.290011 0.013744 0.176078 Ca\n0.290011 0.696245 0.176078 Ca\n0.372647 0.813676 0.639075 Zn\n0.627353 0.186324 0.360925 Zn\n0.407363 0.955518 0.773548 N\n0.407363 0.637119 0.773548 N\n0.592637 0.044482 0.226452 N\n0.592637 0.362881 0.226452 N\n0.634835 0.682583 0.321881 N\n0.365165 0.317417 0.678119 N\n",
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{
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{
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],
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"formula_full": "Zn12 Sb10",
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{
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"structure_string": "Sb8 Cl4 O8 F44\n1.0\n10.534980 0.000000 0.000000\n0.000000 7.776268 0.000000\n0.000000 6.853324 13.428493\nSb Cl O F\n8 4 8 44\ndirect\n0.537576 0.110281 0.226181 Sb\n0.162978 0.283261 0.894302 Sb\n0.337022 0.283261 0.394302 Sb\n0.662978 0.716739 0.605698 Sb\n0.837022 0.716739 0.105698 Sb\n0.962424 0.110281 0.726181 Sb\n0.462424 0.889719 0.773819 Sb\n0.037576 0.889719 0.273819 Sb\n0.167448 0.723153 0.610205 Cl\n0.667448 0.276847 0.889795 Cl\n0.332552 0.723153 0.110205 Cl\n0.832552 0.276847 0.389795 Cl\n0.748664 0.399070 0.409235 O\n0.454295 0.764401 0.063936 O\n0.954295 0.235599 0.436064 O\n0.545705 0.235599 0.936064 O\n0.248664 0.600930 0.090765 O\n0.251336 0.600930 0.590765 O\n0.045705 0.764401 0.563936 O\n0.751336 0.399070 0.909235 O\n0.907898 0.883937 0.169205 F\n0.459171 0.346063 0.136727 F\n0.909643 0.026570 0.305519 F\n0.728372 0.565331 0.547859 F\n0.504035 0.760826 0.541056 F\n0.540829 0.653937 0.863273 F\n0.096793 0.124514 0.170271 F\n0.153688 0.884362 0.371171 F\n0.346312 0.884362 0.871171 F\n0.908759 0.496168 0.219178 F\n0.004035 0.239174 0.958944 F\n0.190849 0.309425 0.316010 F\n0.353122 0.748910 0.729182 F\n0.690849 0.690575 0.183990 F\n0.590357 0.026570 0.805519 F\n0.409643 0.973430 0.194481 F\n0.271130 0.045858 0.497183 F\n0.596793 0.875486 0.329729 F\n0.228372 0.434669 0.952141 F\n0.495965 0.239174 0.458944 F\n0.728870 0.954142 0.502817 F\n0.040829 0.346063 0.636727 F\n0.646878 0.251090 0.270818 F\n0.995965 0.760826 0.041056 F\n0.959171 0.653937 0.363273 F\n0.853122 0.251090 0.770818 F\n0.846312 0.115638 0.628829 F\n0.771130 0.954142 0.002817 F\n0.092102 0.116063 0.830795 F\n0.309151 0.309425 0.816010 F\n0.903207 0.875486 0.829729 F\n0.090357 0.973430 0.694481 F\n0.653688 0.115638 0.128829 F\n0.271628 0.434669 0.452141 F\n0.592102 0.883937 0.669205 F\n0.809151 0.690575 0.683990 F\n0.091241 0.503832 0.780822 F\n0.146878 0.748910 0.229182 F\n0.407898 0.116063 0.330795 F\n0.771628 0.565331 0.047859 F\n0.403207 0.124514 0.670271 F\n0.408759 0.503832 0.280822 F\n0.228870 0.045858 0.997183 F\n0.591241 0.496168 0.719178 F\n",
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}
]
}