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{
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{
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{
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"structure_string": "Mn4 Ni4 Ge4\n1.0\n3.665686 0.000000 0.000000\n0.000000 6.034337 0.000000\n0.000000 0.000000 7.111395\nMn Ni Ge\n4 4 4\ndirect\n0.750000 0.465403 0.322254 Mn\n0.250000 0.034597 0.822254 Mn\n0.750000 0.965403 0.177746 Mn\n0.250000 0.534597 0.677746 Mn\n0.250000 0.141215 0.440993 Ni\n0.750000 0.358785 0.940993 Ni\n0.250000 0.641215 0.059007 Ni\n0.750000 0.858785 0.559007 Ni\n0.250000 0.252203 0.127616 Ge\n0.750000 0.747797 0.872384 Ge\n0.250000 0.752203 0.372384 Ge\n0.750000 0.247797 0.627616 Ge\n",
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{
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"structure_string": "Sr4 H12 C12 O28\n1.0\n17.048411 0.000000 0.000000\n0.000000 5.805519 0.000000\n0.000000 4.965809 6.360370\nSr H C O\n4 12 12 28\ndirect\n0.081519 0.856800 0.378965 Sr\n0.418481 0.856800 0.878965 Sr\n0.918481 0.143200 0.621035 Sr\n0.581519 0.143200 0.121035 Sr\n0.430737 0.243824 0.281525 H\n0.069263 0.243824 0.781525 H\n0.569263 0.756176 0.718475 H\n0.930737 0.756176 0.218475 H\n0.396025 0.172519 0.128791 H\n0.103975 0.172519 0.628791 H\n0.603975 0.827481 0.871209 H\n0.896025 0.827481 0.371209 H\n0.254159 0.356228 0.644832 H\n0.245841 0.356228 0.144832 H\n0.745841 0.643772 0.355168 H\n0.754159 0.643772 0.855168 H\n0.261885 0.945588 0.129541 C\n0.238115 0.945588 0.629541 C\n0.738115 0.054412 0.870459 C\n0.761885 0.054412 0.370459 C\n0.982190 0.509395 0.085205 C\n0.517810 0.509395 0.585205 C\n0.017810 0.490605 0.914795 C\n0.482190 0.490605 0.414795 C\n0.220824 0.688138 0.151338 C\n0.279176 0.688138 0.651338 C\n0.779176 0.311862 0.848662 C\n0.720824 0.311862 0.348662 C\n0.269506 0.541374 0.119466 O\n0.230494 0.541374 0.619466 O\n0.730494 0.458626 0.880534 O\n0.769506 0.458626 0.380534 O\n0.218968 0.079354 0.174804 O\n0.281032 0.079354 0.674804 O\n0.781032 0.920646 0.825196 O\n0.718968 0.920646 0.325196 O\n0.935943 0.714091 0.358655 O\n0.564057 0.714091 0.858655 O\n0.064057 0.285909 0.641345 O\n0.435943 0.285909 0.141345 O\n0.992162 0.292897 0.276612 O\n0.507838 0.292897 0.776612 O\n0.007838 0.707103 0.723388 O\n0.492162 0.707103 0.223388 O\n0.332681 0.995623 0.074340 O\n0.167319 0.995623 0.574340 O\n0.667319 0.004377 0.925660 O\n0.832681 0.004377 0.425660 O\n0.945397 0.742542 0.017429 O\n0.554603 0.742542 0.517429 O\n0.054603 0.257458 0.982571 O\n0.445397 0.257458 0.482571 O\n0.150805 0.632392 0.196854 O\n0.349195 0.632392 0.696854 O\n0.849195 0.367608 0.803146 O\n0.650805 0.367608 0.303146 O\n",
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{
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"created_at": "2022-09-04T14:46:37.944787Z",
"structure_string": "Sc6 Te2 Rh1\n1.0\n3.903189 -6.760521 0.000000\n3.903189 6.760521 0.000000\n0.000000 0.000000 3.793840\nSc Te Rh\n6 2 1\ndirect\n0.242537 0.000000 0.000000 Sc\n0.757463 0.757463 0.000000 Sc\n0.000000 0.242537 0.000000 Sc\n0.608464 0.000000 0.500000 Sc\n0.391536 0.391536 0.500000 Sc\n0.000000 0.608464 0.500000 Sc\n0.666667 0.333333 0.000000 Te\n0.333333 0.666667 0.000000 Te\n0.000000 0.000000 0.500000 Rh\n",
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{
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"structure_string": "La2 Mg2 Fe2 W2 O12\n1.0\n-0.000034 5.457315 0.021409\n-0.000083 0.031013 8.107462\n5.578733 -0.000034 -0.000048\nLa Mg Fe W O\n2 2 2 2 12\ndirect\n0.995005 0.246186 0.049998 La\n0.495009 0.746181 0.450027 La\n0.522348 0.255146 0.552561 Mg\n0.022343 0.755148 0.947435 Mg\n0.498880 0.496562 0.004352 Fe\n0.998901 0.996567 0.495697 Fe\n0.502400 0.998813 0.990427 W\n0.002403 0.498815 0.509566 W\n0.648773 0.766495 0.041374 O\n0.148789 0.266501 0.458602 O\n0.187767 0.934160 0.185539 O\n0.687790 0.434144 0.314443 O\n0.160489 0.569805 0.209924 O\n0.660491 0.069791 0.290086 O\n0.900431 0.738398 0.575760 O\n0.400445 0.238401 0.924243 O\n0.284021 0.562529 0.720457 O\n0.784021 0.062517 0.779559 O\n0.299843 0.931931 0.724189 O\n0.799847 0.431907 0.775761 O\n",
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},
{
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"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.764275 0.000000 0.000000\n0.000000 8.575632 0.000000\n0.000000 0.342030 12.065163\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.512171 0.314875 0.404143 Li\n0.086249 0.329902 0.059646 Li\n0.779484 0.429600 0.572329 Li\n0.279484 0.570400 0.427671 Li\n0.586249 0.670098 0.940354 Li\n0.012171 0.685125 0.595857 Li\n0.985383 0.814408 0.902856 Li\n0.415202 0.830395 0.558766 Li\n0.720963 0.930746 0.072489 Li\n0.220963 0.069254 0.927511 Li\n0.915202 0.169605 0.441234 Li\n0.485383 0.185592 0.097144 Li\n0.036635 0.997537 0.140351 Mn\n0.471204 0.997740 0.355683 Mn\n0.536635 0.002463 0.859649 Mn\n0.971204 0.002260 0.644317 Mn\n0.027970 0.494170 0.854954 V\n0.464853 0.495102 0.641952 V\n0.527970 0.505830 0.145046 V\n0.964853 0.504898 0.358048 V\n0.248124 0.293878 0.260057 P\n0.382094 0.364409 0.904079 P\n0.111209 0.364564 0.603830 P\n0.882094 0.635591 0.095921 P\n0.611209 0.635436 0.396170 P\n0.748124 0.706122 0.739943 P\n0.249352 0.793034 0.759861 P\n0.389732 0.866824 0.100171 P\n0.118876 0.865863 0.397284 P\n0.889732 0.133176 0.899829 P\n0.618876 0.134137 0.602716 P\n0.749352 0.206966 0.240139 P\n0.893423 0.300857 0.855232 O\n0.867953 0.298520 0.306375 O\n0.663788 0.304474 0.150770 O\n0.580210 0.306253 0.563434 O\n0.360420 0.351061 0.168439 O\n0.205330 0.376355 0.920186 O\n0.421066 0.389954 0.781250 O\n0.994092 0.378451 0.504598 O\n0.269197 0.425616 0.562970 O\n0.177162 0.439378 0.315826 O\n0.471398 0.480935 0.974709 O\n0.050041 0.485362 0.688288 O\n0.550041 0.514638 0.311712 O\n0.971398 0.519065 0.025291 O\n0.677162 0.560622 0.684174 O\n0.769197 0.574384 0.437030 O\n0.921066 0.610046 0.218750 O\n0.494092 0.621549 0.495402 O\n0.705330 0.623645 0.079814 O\n0.860420 0.648939 0.831561 O\n0.163788 0.695526 0.849230 O\n0.080210 0.693747 0.436566 O\n0.393423 0.699143 0.144768 O\n0.367953 0.701480 0.693625 O\n0.626362 0.795381 0.803095 O\n0.613959 0.802708 0.350805 O\n0.918011 0.807076 0.057329 O\n0.831702 0.801475 0.647157 O\n0.136267 0.851416 0.665638 O\n0.297639 0.873443 0.415585 O\n0.507750 0.877138 0.999139 O\n0.083210 0.885263 0.273476 O\n0.230256 0.920340 0.058797 O\n0.319961 0.937385 0.814308 O\n0.030258 0.981488 0.467404 O\n0.451041 0.987713 0.182403 O\n0.951041 0.012287 0.817597 O\n0.530258 0.018512 0.532596 O\n0.819961 0.062615 0.185692 O\n0.730256 0.079660 0.941203 O\n0.007750 0.122862 0.000861 O\n0.583210 0.114737 0.726524 O\n0.797639 0.126557 0.584415 O\n0.636267 0.148584 0.334362 O\n0.418011 0.192924 0.942671 O\n0.331702 0.198525 0.352843 O\n0.126362 0.204619 0.196905 O\n0.113959 0.197292 0.649195 O\n",
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"elements": [
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"P",
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],
"chemical_system": "Li-Mn-O-P-V",
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"volume": 906.8079645252769,
"volume_molar": 6.82615650582538,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
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"updated_at": "2021-11-28T01:37:42.970000Z",
"spacegroup": 4
},
{
"id": "mp-641018",
"created_at": "2022-09-04T14:46:38.190330Z",
"structure_string": "Cs1 K5 Zn4 Sn5 S17\n1.0\n-6.997794 6.997794 4.849403\n6.997794 -6.997794 4.849403\n6.997794 6.997794 -4.849403\nCs K Zn Sn S\n1 5 4 5 17\ndirect\n0.750000 0.250000 0.500000 Cs\n0.760619 0.760619 0.521238 K\n0.760619 0.239381 0.000000 K\n0.239381 0.239381 0.478762 K\n0.500000 0.500000 0.000000 K\n0.239381 0.760619 0.000000 K\n0.278004 0.139416 0.138588 Zn\n0.860584 0.721996 0.861412 Zn\n0.000829 0.139416 0.861412 Zn\n0.860584 0.999171 0.138588 Zn\n0.224087 0.448300 0.224213 Sn\n0.250000 0.750000 0.500000 Sn\n0.224087 0.999875 0.775787 Sn\n0.551700 0.775913 0.775787 Sn\n0.000125 0.775913 0.224213 Sn\n0.139308 0.145153 0.721335 S\n0.990364 0.271595 0.281231 S\n0.854847 0.576182 0.994155 S\n0.423818 0.145153 0.005845 S\n0.854847 0.860692 0.278665 S\n0.990364 0.709132 0.718769 S\n0.728405 0.009636 0.718769 S\n0.394055 0.751389 0.357334 S\n0.963279 0.605945 0.357334 S\n0.423818 0.417973 0.278665 S\n0.394055 0.036721 0.642666 S\n0.248611 0.605945 0.642666 S\n0.139308 0.417973 0.994155 S\n0.582027 0.860692 0.005845 S\n0.290868 0.009636 0.281231 S\n0.000000 0.000000 0.000000 S\n0.582027 0.576182 0.721335 S\n",
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],
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"volume": 949.8840065482293,
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"formula_full": "Cs1 K5 Zn4 Sn5 S17",
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"updated_at": "2021-11-28T01:37:42.806000Z",
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}
]
}