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{
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"structure_string": "K4 Pr2 Nb10 O30\n1.0\n12.793864 0.000000 0.000000\n0.000000 12.793864 0.000000\n0.000000 0.000000 3.968605\nK Pr Nb O\n4 2 10 30\ndirect\n0.670143 0.170143 0.500000 K\n0.329857 0.829857 0.500000 K\n0.170143 0.329857 0.500000 K\n0.829857 0.670143 0.500000 K\n0.000000 0.000000 0.500000 Pr\n0.500000 0.500000 0.500000 Pr\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.213453 0.076667 0.000000 Nb\n0.786547 0.923333 0.000000 Nb\n0.076667 0.786547 0.000000 Nb\n0.713453 0.423333 0.000000 Nb\n0.923333 0.213453 0.000000 Nb\n0.286547 0.576667 0.000000 Nb\n0.576667 0.713453 0.000000 Nb\n0.423333 0.286547 0.000000 Nb\n0.191278 0.079595 0.500000 O\n0.808722 0.920405 0.500000 O\n0.079595 0.808722 0.500000 O\n0.691278 0.420405 0.500000 O\n0.920405 0.191278 0.500000 O\n0.308722 0.579595 0.500000 O\n0.579595 0.691278 0.500000 O\n0.420405 0.308722 0.500000 O\n0.217562 0.717562 0.000000 O\n0.782438 0.282438 0.000000 O\n0.717562 0.782438 0.000000 O\n0.282438 0.217562 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.058743 0.132211 0.000000 O\n0.941257 0.867789 0.000000 O\n0.132211 0.941257 0.000000 O\n0.558743 0.367789 0.000000 O\n0.867789 0.058743 0.000000 O\n0.441257 0.632211 0.000000 O\n0.632211 0.558743 0.000000 O\n0.367789 0.441257 0.000000 O\n0.342719 0.999497 0.000000 O\n0.657281 0.000503 0.000000 O\n0.999497 0.657281 0.000000 O\n0.842719 0.500503 0.000000 O\n0.000503 0.342719 0.000000 O\n0.157281 0.499497 0.000000 O\n0.499497 0.842719 0.000000 O\n0.500503 0.157281 0.000000 O\n",
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{
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"structure_string": "Mn2 Bi3 Sb3 O14\n1.0\n5.241956 -5.241947 0.101204\n-0.101259 -5.242004 -5.242003\n5.241965 0.101212 -5.241955\nMn Bi Sb O\n2 3 3 14\ndirect\n0.000008 0.500018 0.999959 Mn\n0.500009 0.999966 0.500070 Mn\n0.999998 0.999995 0.500002 Bi\n0.500001 0.000001 0.999995 Bi\n0.499995 0.500000 0.500002 Bi\n0.500000 0.500003 0.999996 Sb\n0.000000 0.500004 0.500004 Sb\n0.000000 0.000000 0.999997 Sb\n0.614152 0.114158 0.614151 O\n0.385844 0.885847 0.385840 O\n0.082261 0.181099 0.681093 O\n0.681095 0.181099 0.082261 O\n0.681096 0.582261 0.681095 O\n0.917737 0.818903 0.318902 O\n0.318904 0.818901 0.917737 O\n0.318902 0.417740 0.318901 O\n0.647286 0.590193 0.090194 O\n0.090196 0.590195 0.647281 O\n0.090192 0.147283 0.090195 O\n0.352711 0.409810 0.909805 O\n0.909807 0.409806 0.352715 O\n0.909806 0.852716 0.909805 O\n",
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"formula_full": "Mn2 Bi3 Sb3 O14",
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{
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"created_at": "2022-09-04T14:39:30.895136Z",
"structure_string": "Li1 Ag2 C2 N2 O2\n1.0\n3.235994 0.356414 0.000000\n0.480398 5.525866 0.000000\n0.000000 0.000000 8.746116\nLi Ag C N O\n1 2 2 2 2\ndirect\n0.547178 0.075233 0.250000 Li\n0.046041 0.934188 0.549783 Ag\n0.046041 0.934188 0.950217 Ag\n0.246681 0.640510 0.250000 C\n0.711904 0.404414 0.750000 C\n0.855599 0.186902 0.750000 N\n0.112261 0.860952 0.250000 N\n0.568310 0.623743 0.750000 O\n0.383843 0.423202 0.250000 O\n",
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{
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"structure_string": "Tm2 Pa2 O8\n1.0\n-2.358903 2.358903 4.932919\n2.358903 -2.358903 4.932919\n2.358903 2.358903 -4.932919\nTm Pa O\n2 2 8\ndirect\n0.000000 0.000000 0.000000 Tm\n0.750000 0.250000 0.500000 Tm\n0.500000 0.500000 0.000000 Pa\n0.250000 0.750000 0.500000 Pa\n0.375000 0.370507 0.495507 O\n0.120507 0.125000 0.495507 O\n0.875000 0.879493 0.504493 O\n0.875000 0.370507 0.995507 O\n0.629493 0.125000 0.004493 O\n0.629493 0.625000 0.504493 O\n0.120507 0.625000 0.995507 O\n0.375000 0.879493 0.004493 O\n",
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{
"id": "mp-554037",
"created_at": "2022-09-04T14:39:09.931270Z",
"structure_string": "K2 U4 H10 C8 O30\n1.0\n13.983519 0.000000 0.000000\n0.000000 5.815694 0.000000\n0.000000 1.302613 9.263065\nK U H C O\n2 4 10 8 30\ndirect\n0.250000 0.192812 0.405530 K\n0.750000 0.807188 0.594470 K\n0.406845 0.713058 0.764470 U\n0.906845 0.286942 0.235530 U\n0.593155 0.286942 0.235530 U\n0.093155 0.713058 0.764470 U\n0.194688 0.201402 0.069726 H\n0.195587 0.750376 0.199905 H\n0.305312 0.201402 0.069726 H\n0.750000 0.510581 0.090971 H\n0.695587 0.249624 0.800095 H\n0.304413 0.750376 0.199905 H\n0.805312 0.798598 0.930274 H\n0.250000 0.489419 0.909029 H\n0.804413 0.249624 0.800095 H\n0.694688 0.798598 0.930274 H\n0.953389 0.012253 0.957433 C\n0.450523 0.455521 0.482369 C\n0.049477 0.455521 0.482369 C\n0.453389 0.987747 0.042567 C\n0.046611 0.987747 0.042567 C\n0.549477 0.544479 0.517631 C\n0.546611 0.012253 0.957433 C\n0.950523 0.544479 0.517631 C\n0.615001 0.116548 0.010822 O\n0.054214 0.336483 0.379342 O\n0.058741 0.443817 0.871866 O\n0.115001 0.883452 0.989178 O\n0.630435 0.024566 0.348579 O\n0.554214 0.663517 0.620658 O\n0.445786 0.336483 0.379342 O\n0.558741 0.556183 0.128134 O\n0.369565 0.975434 0.651421 O\n0.130435 0.975434 0.651421 O\n0.884999 0.116548 0.010822 O\n0.441259 0.443817 0.871866 O\n0.750000 0.384798 0.176836 O\n0.049505 0.075514 0.158775 O\n0.950495 0.924486 0.841225 O\n0.118436 0.508923 0.559406 O\n0.250000 0.615202 0.823164 O\n0.549505 0.924486 0.841225 O\n0.750000 0.249414 0.734560 O\n0.384999 0.883452 0.989178 O\n0.750000 0.695716 0.930621 O\n0.250000 0.750586 0.265440 O\n0.869565 0.024566 0.348579 O\n0.450495 0.075514 0.158775 O\n0.618436 0.491077 0.440594 O\n0.941259 0.556183 0.128134 O\n0.881564 0.491077 0.440594 O\n0.945786 0.663517 0.620658 O\n0.381564 0.508923 0.559406 O\n0.250000 0.304284 0.069379 O\n",
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{
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"structure_string": "Li4 Mn3 V5 O16\n1.0\n5.842538 0.000000 0.000000\n-2.746428 5.218303 0.000000\n-0.083156 -0.342856 9.551155\nLi Mn V O\n4 3 5 16\ndirect\n0.339196 0.683166 0.104048 Li\n0.999134 0.003702 0.006904 Li\n0.003632 0.993259 0.506459 Li\n0.669117 0.332599 0.601458 Li\n0.170576 0.337261 0.788398 Mn\n0.342214 0.173643 0.285900 Mn\n0.832469 0.167922 0.288237 Mn\n0.172333 0.827539 0.783395 V\n0.334319 0.654289 0.512557 V\n0.657766 0.832596 0.788401 V\n0.836729 0.659758 0.284411 V\n0.667529 0.348105 0.011881 V\n0.158399 0.796310 0.409111 O\n0.467168 0.961191 0.657806 O\n0.318969 0.668490 0.895737 O\n0.004337 0.998441 0.694488 O\n0.001319 0.996117 0.194891 O\n0.665654 0.798855 0.399706 O\n0.040320 0.518016 0.660355 O\n0.491912 0.535770 0.648336 O\n0.831968 0.672182 0.897359 O\n0.165426 0.315577 0.407532 O\n0.535195 0.499876 0.145392 O\n0.967569 0.506048 0.155609 O\n0.670637 0.336620 0.390601 O\n0.325365 0.169943 0.905088 O\n0.525771 0.052022 0.157656 O\n0.804677 0.160703 0.910443 O\n",
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{
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{
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{
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{
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"structure_string": "Na2 Al2 C2 O10\n1.0\n-2.924941 3.496779 5.344785\n2.924941 -3.496779 5.344785\n2.924941 3.496779 -5.344785\nNa Al C O\n2 2 2 10\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.000000 0.500000 Na\n0.500000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.744482 0.494482 0.250000 C\n0.255518 0.505518 0.750000 C\n0.863299 0.613299 0.250000 O\n0.136701 0.386701 0.750000 O\n0.687742 0.241593 0.053851 O\n0.312258 0.758407 0.946149 O\n0.312258 0.366109 0.553851 O\n0.687742 0.633891 0.446149 O\n0.314440 0.221492 0.092948 O\n0.371455 0.778508 0.592948 O\n0.685560 0.778508 0.907052 O\n0.628545 0.221492 0.407052 O\n",
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},
{
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"structure_string": "U4 Co2 Se4 S6\n1.0\n0.000000 6.236889 0.000000\n-0.149400 0.000000 7.133273\n7.313216 3.118445 -0.804044\nU Co Se S\n4 2 4 6\ndirect\n0.676505 0.582250 0.195531 U\n0.872036 0.917750 0.804469 U\n0.323495 0.417750 0.804469 U\n0.127964 0.082250 0.195531 U\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n0.301944 0.692512 0.561632 Se\n0.863576 0.807488 0.438368 Se\n0.698056 0.307488 0.438368 Se\n0.136424 0.192512 0.561632 Se\n0.084017 0.750000 0.000000 S\n0.915983 0.250000 0.000000 S\n0.529482 0.925110 0.180063 S\n0.709544 0.574890 0.819937 S\n0.470518 0.074890 0.819937 S\n0.290456 0.425110 0.180063 S\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "Co-S-Se-U",
"density": 8.073286772422042,
"density_atomic": 0.049289670520302024,
"volume": 324.61162412132023,
"volume_molar": 12.217855579942512,
"formula_full": "U4 Co2 Se4 S6",
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{
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"elements": [
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],
"chemical_system": "C-Ti-W",
"density": 10.298686888476032,
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"volume": 41.23312061407368,
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]
}