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"structure_string": "Li5 V3 Bi2 P6 O24\n1.0\n8.920281 0.000000 0.000000\n-4.324687 7.802696 0.000000\n-0.053498 -5.064757 7.361179\nLi V Bi P O\n5 3 2 6 24\ndirect\n0.455477 0.808753 0.813367 Li\n0.282520 0.144511 0.359917 Li\n0.695615 0.849883 0.679663 Li\n0.682777 0.152828 0.847250 Li\n0.686397 0.688127 0.155389 Li\n0.055552 0.353605 0.348680 V\n0.452158 0.155504 0.149527 V\n0.947724 0.651482 0.652987 V\n0.018114 0.006488 0.993447 Bi\n0.498632 0.516755 0.501618 Bi\n0.255164 0.747228 0.454317 P\n0.256706 0.053904 0.748391 P\n0.256127 0.456407 0.054432 P\n0.757558 0.543648 0.960342 P\n0.774143 0.967931 0.255287 P\n0.742474 0.254982 0.536616 P\n0.083339 0.902923 0.702165 O\n0.088740 0.495995 0.903053 O\n0.096768 0.693034 0.509083 O\n0.247276 0.924555 0.276232 O\n0.242104 0.594923 0.402371 O\n0.441393 0.785365 0.598582 O\n0.262478 0.080561 0.911134 O\n0.254091 0.245316 0.582246 O\n0.259322 0.415762 0.251739 O\n0.581122 0.393753 0.977705 O\n0.774771 0.723536 0.970850 O\n0.609486 0.003650 0.222068 O\n0.430553 0.027770 0.785188 O\n0.245310 0.261129 0.082091 O\n0.435641 0.602568 0.035405 O\n0.750630 0.609420 0.756919 O\n0.755263 0.760710 0.386809 O\n0.778012 0.971788 0.079117 O\n0.554344 0.212078 0.394831 O\n0.745210 0.389520 0.605011 O\n0.767328 0.081305 0.713576 O\n0.897446 0.327988 0.464508 O\n0.926585 0.489712 0.102155 O\n0.955651 0.103602 0.326930 O\n",
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"formula_full": "Li5 V3 Bi2 P6 O24",
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"updated_at": "2021-11-28T01:34:38.960000Z",
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},
{
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"created_at": "2022-09-04T14:39:13.013736Z",
"structure_string": "Mo2 H8 O10\n1.0\n4.248106 0.000000 0.000000\n0.000000 6.172755 0.000000\n0.000000 1.451796 7.718100\nMo H O\n2 8 10\ndirect\n0.914223 0.994725 0.725765 Mo\n0.085777 0.994725 0.225765 Mo\n0.564075 0.433209 0.117223 H\n0.770895 0.625735 0.897350 H\n0.290277 0.555201 0.995091 H\n0.435925 0.433209 0.617223 H\n0.229105 0.625735 0.397350 H\n0.709723 0.555201 0.495091 H\n0.994367 0.425696 0.775517 H\n0.005633 0.425696 0.275517 H\n0.007647 0.987181 0.004259 O\n0.992353 0.987181 0.504259 O\n0.507051 0.500587 0.999238 O\n0.492949 0.500587 0.499238 O\n0.506252 0.994277 0.739989 O\n0.493748 0.994277 0.239989 O\n0.014757 0.297203 0.714865 O\n0.960864 0.679336 0.818491 O\n0.039136 0.679336 0.318491 O\n0.985243 0.297203 0.214865 O\n",
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"elements": [
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"density": 2.9531902876430003,
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"volume": 202.38801271832276,
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"formula_full": "Mo2 H8 O10",
"formula_reduced": "MoH4O5",
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"updated_at": "2021-11-28T01:34:35.593000Z",
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},
{
"id": "mp-1518454",
"created_at": "2022-09-04T14:39:13.020849Z",
"structure_string": "Ba2 Sr2 Dy2 Nb2 O12\n1.0\n5.973343 -0.025526 -0.007411\n-0.026938 5.977780 -0.011478\n-0.011890 -0.017487 8.459495\nBa Sr Dy Nb O\n2 2 2 2 12\ndirect\n0.504206 0.519093 0.249981 Ba\n0.495794 0.480907 0.750019 Ba\n0.996534 0.023221 0.250593 Sr\n0.003466 0.976779 0.749407 Sr\n-0.000000 0.500000 -0.000000 Dy\n0.500000 0.000000 0.500000 Dy\n0.500000 0.000000 -0.000000 Nb\n-0.000000 0.500000 0.500000 Nb\n0.231667 0.204884 0.966415 O\n0.261623 0.711061 0.529565 O\n0.768333 0.795116 0.033585 O\n0.738377 0.288939 0.470435 O\n0.290602 0.737374 0.969095 O\n0.203056 0.229656 0.532384 O\n0.709398 0.262626 0.030905 O\n0.796944 0.770344 0.467616 O\n0.432820 0.994274 0.236329 O\n0.054021 0.484738 0.263657 O\n0.567180 0.005726 0.763671 O\n0.945979 0.515262 0.736343 O\n",
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"formula_full": "Ba2 Sr2 Dy2 Nb2 O12",
"formula_reduced": "BaSrDyNbO6",
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"energy": -165.12128639,
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]
}