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{
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{
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{
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"structure_string": "K2 Tb2 W4 O16\n1.0\n5.307243 5.452166 0.000000\n-5.307243 5.452166 0.000000\n0.000000 4.845611 5.714034\nK Tb W O\n2 2 4 16\ndirect\n0.703261 0.296739 0.750000 K\n0.296739 0.703261 0.250000 K\n0.275339 0.724661 0.750000 Tb\n0.724661 0.275339 0.250000 Tb\n0.799686 0.808332 0.221676 W\n0.191668 0.200314 0.278324 W\n0.200314 0.191668 0.778324 W\n0.808332 0.799686 0.721676 W\n0.457468 0.285500 0.185575 O\n0.714500 0.542532 0.314425 O\n0.542532 0.714500 0.814425 O\n0.285500 0.457468 0.685575 O\n0.089774 0.869694 0.968792 O\n0.130306 0.910226 0.531208 O\n0.910226 0.130306 0.031208 O\n0.869694 0.089774 0.468792 O\n0.123724 0.438247 0.124644 O\n0.561753 0.876276 0.375356 O\n0.876276 0.561753 0.875356 O\n0.438247 0.123724 0.624644 O\n0.742898 0.878643 0.944455 O\n0.121357 0.257102 0.555545 O\n0.257102 0.121357 0.055545 O\n0.878643 0.742898 0.444455 O\n",
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{
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{
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"structure_string": "Co4 Sb4 P8 O32\n1.0\n0.004423 6.067068 0.001299\n0.113483 0.001631 10.198648\n10.085383 0.005325 -4.975026\nCo Sb P O\n4 4 8 32\ndirect\n0.749962 0.839887 0.239879 Co\n0.252520 0.167263 0.762852 Co\n0.750405 0.318311 0.206052 Co\n0.250081 0.698322 0.802077 Co\n0.249730 0.610648 0.272574 Sb\n0.250442 0.120675 0.282907 Sb\n0.749924 0.387037 0.724411 Sb\n0.746955 0.882107 0.718244 Sb\n0.250319 0.251646 0.086603 P\n0.249464 0.739541 0.096098 P\n0.750310 0.742908 0.912219 P\n0.751113 0.262973 0.904304 P\n0.749944 0.643134 0.399950 P\n0.750121 0.146805 0.405188 P\n0.250099 0.356736 0.599344 P\n0.249048 0.853171 0.596482 P\n0.752455 0.365317 0.048748 O\n0.754532 0.828023 0.059837 O\n0.248046 0.640370 0.950223 O\n0.248389 0.165643 0.938610 O\n0.251064 0.419290 0.117239 O\n0.250869 0.899334 0.125359 O\n0.750769 0.576330 0.881260 O\n0.749647 0.103520 0.876876 O\n0.749791 0.273229 0.369125 O\n0.748423 0.784363 0.387375 O\n0.257263 0.729124 0.636225 O\n0.250092 0.212682 0.608249 O\n0.251062 0.341184 0.458664 O\n0.245533 0.792739 0.440076 O\n0.753027 0.662113 0.541485 O\n0.749370 0.201630 0.560840 O\n0.049871 0.217354 0.155860 O\n0.055261 0.700926 0.175479 O\n0.451552 0.216427 0.154423 O\n0.444295 0.700302 0.174691 O\n0.549062 0.779243 0.845325 O\n0.555783 0.299984 0.824915 O\n0.947906 0.778196 0.840874 O\n0.945217 0.298495 0.823021 O\n0.955811 0.541254 0.322447 O\n0.950117 0.040030 0.349200 O\n0.542432 0.542042 0.324534 O\n0.551158 0.039487 0.348792 O\n0.040617 0.454993 0.674563 O\n0.046054 0.957051 0.652817 O\n0.458270 0.455462 0.675772 O\n0.445822 0.962695 0.647910 O\n",
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"structure_string": "Li4 Ni4 P8 O28\n1.0\n-6.470317 0.000000 0.000000\n2.673055 8.873823 0.000000\n-0.719344 -4.334662 -9.493297\nLi Ni P O\n4 4 8 28\ndirect\n0.033892 0.165219 0.476273 Li\n0.940924 0.929919 0.945751 Li\n0.347959 0.936464 0.403260 Li\n0.541033 0.500097 0.979538 Li\n0.632752 0.486872 0.250913 Ni\n0.370082 0.503061 0.741760 Ni\n0.712420 0.097997 0.217792 Ni\n0.288509 0.891712 0.768885 Ni\n0.879778 0.545141 0.704058 P\n0.577936 0.300540 0.459558 P\n0.420082 0.689666 0.530937 P\n0.090488 0.192532 0.793910 P\n0.114277 0.432821 0.296534 P\n0.699631 0.189208 0.949603 P\n0.302428 0.803878 0.042638 P\n0.918714 0.808571 0.198149 P\n0.373959 0.321033 0.538639 O\n0.990413 0.122290 0.645109 O\n0.956344 0.510603 0.265740 O\n0.778938 0.456572 0.542301 O\n0.302123 0.330084 0.821138 O\n0.073021 0.711904 0.086004 O\n0.570268 0.295838 0.308985 O\n0.309356 0.450890 0.206779 O\n0.046154 0.458461 0.707670 O\n0.928640 0.278117 0.905163 O\n0.401645 0.668038 0.950201 O\n0.254684 0.902937 0.967122 O\n0.744649 0.087382 0.022807 O\n0.365305 0.847475 0.549810 O\n0.562239 0.074287 0.813251 O\n0.981826 0.727938 0.736056 O\n0.205964 0.538436 0.458639 O\n0.685998 0.518800 0.792450 O\n0.710199 0.671236 0.186267 O\n0.864628 0.917403 0.134452 O\n0.040682 0.913403 0.341045 O\n0.610057 0.331958 0.042380 O\n0.613446 0.652749 0.446875 O\n0.010332 0.259342 0.290564 O\n0.430623 0.919068 0.183777 O\n0.434219 0.698386 0.682437 O\n0.111527 0.054129 0.831752 O\n0.634313 0.139659 0.432903 O\n",
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"elements": [
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],
"chemical_system": "Li-Ni-O-P",
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"formula_full": "Li4 Ni4 P8 O28",
"formula_reduced": "LiNiP2O7",
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"updated_at": "2021-11-28T01:34:52.713000Z",
"spacegroup": 1
},
{
"id": "mp-1200749",
"created_at": "2022-09-04T14:40:15.870400Z",
"structure_string": "Zr20 Ge16\n1.0\n7.304775 0.000000 0.000000\n0.000000 7.304775 0.000000\n0.000000 0.000000 13.242655\nZr Ge\n20 16\ndirect\n0.828901 0.171099 0.750000 Zr\n0.171099 0.828901 0.250000 Zr\n0.671099 0.671099 0.500000 Zr\n0.328901 0.328901 0.000000 Zr\n0.997819 0.343674 0.529933 Zr\n0.002181 0.656326 0.029933 Zr\n0.843674 0.502181 0.279933 Zr\n0.156326 0.497819 0.779933 Zr\n0.656326 0.002181 0.970067 Zr\n0.343674 0.997819 0.470067 Zr\n0.502181 0.843674 0.720067 Zr\n0.497819 0.156326 0.220067 Zr\n0.502365 0.344731 0.621833 Zr\n0.497635 0.655269 0.121833 Zr\n0.844731 0.997635 0.371833 Zr\n0.155269 0.002365 0.871833 Zr\n0.655269 0.497635 0.878167 Zr\n0.344731 0.502365 0.378167 Zr\n0.997635 0.844731 0.628167 Zr\n0.002365 0.155269 0.128167 Zr\n0.639938 0.299286 0.420515 Ge\n0.360062 0.700714 0.920515 Ge\n0.799286 0.860062 0.170515 Ge\n0.200714 0.139938 0.670515 Ge\n0.700714 0.360062 0.079485 Ge\n0.299286 0.639938 0.579485 Ge\n0.860062 0.799286 0.829485 Ge\n0.139938 0.200714 0.329485 Ge\n0.697787 0.037553 0.566305 Ge\n0.302213 0.962447 0.066305 Ge\n0.537553 0.802213 0.316305 Ge\n0.462447 0.197787 0.816305 Ge\n0.962447 0.302213 0.933695 Ge\n0.037553 0.697787 0.433695 Ge\n0.802213 0.537553 0.683695 Ge\n0.197787 0.462447 0.183695 Ge\n",
"nsites": 36,
"nelements": 2,
"elements": [
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],
"chemical_system": "Ge-Zr",
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"volume": 706.6245985841357,
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"formula_full": "Zr20 Ge16",
"formula_reduced": "Zr5Ge4",
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"updated_at": "2021-11-28T01:34:48.396000Z",
"spacegroup": 92
}
]
}