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"structure_string": "Zr3 Nb3 Si6 Ru6\n1.0\n3.754574 0.000000 0.000000\n0.000000 6.613867 0.000000\n0.000000 0.075379 11.301080\nZr Nb Si Ru\n3 3 6 6\ndirect\n0.500000 0.289691 0.291268 Zr\n0.500000 0.290868 0.709167 Zr\n0.500000 0.789915 0.208600 Zr\n0.500000 0.420926 0.999466 Nb\n0.500000 0.917359 0.500928 Nb\n0.500000 0.790845 0.791586 Nb\n0.000000 0.992609 0.666474 Si\n0.000000 0.498417 0.162586 Si\n0.000000 0.503419 0.835669 Si\n0.000000 0.997565 0.337355 Si\n0.500000 0.004162 0.996742 Si\n0.500000 0.506542 0.500090 Si\n0.000000 0.754485 0.998187 Ru\n0.000000 0.254091 0.501308 Ru\n0.000000 0.623010 0.623055 Ru\n0.000000 0.122536 0.121784 Ru\n0.000000 0.121552 0.877231 Ru\n0.000000 0.622206 0.378505 Ru\n",
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"elements": [
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],
"chemical_system": "Nb-Ru-Si-Zr",
"density": 7.853984058446857,
"density_atomic": 0.06414110390367396,
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"formula_full": "Zr3 Nb3 Si6 Ru6",
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"updated_at": "2021-11-28T01:34:40.661000Z",
"spacegroup": 6
},
{
"id": "mp-850710",
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"structure_string": "Li14 V6 P16 O58\n1.0\n9.850577 0.000000 0.000000\n-4.907468 8.548020 0.000000\n-0.013174 -0.023005 13.904328\nLi V P O\n14 6 16 58\ndirect\n0.233922 0.906948 0.434269 Li\n0.092826 0.330914 0.433906 Li\n0.333165 0.661042 0.615207 Li\n0.325836 0.674954 0.113873 Li\n0.235154 0.324223 0.937771 Li\n0.678420 0.909490 0.941148 Li\n0.673664 0.767098 0.434516 Li\n0.336930 0.101353 0.063198 Li\n0.764482 0.658413 0.060636 Li\n0.902412 0.666528 0.558796 Li\n0.767155 0.097623 0.554660 Li\n0.900333 0.231195 0.065794 Li\n0.015351 0.960906 0.000027 Li\n0.047808 0.030676 0.496417 Li\n0.437427 0.434832 0.745297 V\n0.562271 0.559454 0.251652 V\n0.434494 0.000384 0.251552 V\n0.561355 0.002537 0.751509 V\n0.000148 0.565520 0.755989 V\n0.998206 0.436093 0.250309 V\n0.087750 0.780512 0.157685 P\n0.221017 0.907614 0.657575 P\n0.088091 0.315131 0.658109 P\n0.337644 0.666793 0.870030 P\n0.335280 0.665444 0.374434 P\n0.227159 0.315396 0.155209 P\n0.304892 0.223421 0.342911 P\n0.682716 0.905571 0.157298 P\n0.308067 0.086570 0.843098 P\n0.684801 0.776347 0.656852 P\n0.770799 0.685701 0.842149 P\n0.669895 0.334666 0.630638 P\n0.663819 0.333729 0.125893 P\n0.913728 0.687401 0.344804 P\n0.772556 0.085014 0.342639 P\n0.913195 0.226291 0.843949 P\n0.997440 0.778870 0.435368 O\n0.078841 0.739645 0.660593 O\n0.221346 0.010689 0.933731 O\n0.252347 0.924962 0.155589 O\n0.102526 0.631968 0.163151 O\n0.193471 0.670655 0.826086 O\n0.096250 0.475945 0.670352 O\n0.002298 0.226498 0.932394 O\n0.081376 0.333129 0.154396 O\n0.324174 0.809182 0.338965 O\n0.372261 0.894801 0.671210 O\n0.190595 0.512242 0.337880 O\n0.343062 0.665217 0.977459 O\n0.347910 0.665986 0.483144 O\n0.332964 0.516486 0.828559 O\n0.519114 0.887911 0.166784 O\n0.489783 0.816010 0.830458 O\n0.256013 0.345303 0.658256 O\n0.210884 0.204646 0.243024 O\n0.198028 0.212445 0.423681 O\n0.238294 0.235699 0.064573 O\n0.373335 0.480254 0.170685 O\n0.488192 0.674354 0.330288 O\n0.334064 0.253947 0.835504 O\n0.519677 0.629958 0.670078 O\n0.666343 0.922904 0.656179 O\n0.203092 0.995224 0.750024 O\n0.217943 0.987590 0.566928 O\n0.772899 0.995131 0.431976 O\n0.332790 0.084331 0.344456 O\n0.458308 0.381679 0.335922 O\n0.666146 0.741295 0.156511 O\n0.523975 0.337447 0.674673 O\n0.614500 0.533509 0.831020 O\n0.778595 0.778040 0.931089 O\n0.768060 0.765713 0.568751 O\n0.789657 0.794259 0.749644 O\n0.748265 0.668257 0.340734 O\n0.513069 0.187421 0.161687 O\n0.463916 0.085212 0.832314 O\n0.665635 0.482487 0.176681 O\n0.665200 0.357778 0.019468 O\n0.672826 0.328682 0.524405 O\n0.817586 0.483854 0.671501 O\n0.623164 0.092770 0.330832 O\n0.665910 0.183162 0.674926 O\n0.909552 0.656996 0.837287 O\n0.010675 0.797869 0.256466 O\n0.987062 0.785715 0.077629 O\n0.907774 0.531021 0.335235 O\n0.809855 0.327610 0.163386 O\n0.909473 0.378977 0.831582 O\n0.746865 0.082738 0.842973 O\n0.772248 0.997805 0.068865 O\n0.788389 0.993603 0.249649 O\n0.918877 0.247212 0.341800 O\n0.997971 0.227235 0.569456 O\n0.000418 0.207271 0.750265 O\n",
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"elements": [
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],
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"density_atomic": 0.08028800185933613,
"volume": 1170.7851462624162,
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"formula_full": "Li14 V6 P16 O58",
"formula_reduced": "Li7V3P8O29",
"formula_anonymous": "A3B7C8D29",
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"updated_at": "2021-11-28T01:34:32.428000Z",
"spacegroup": 1
}
]
}