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{
"id": "jvasp-42994",
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"updated_at": "2022-09-04T14:38:09.749540Z",
"structure_string": "Li2 V2 Cr2 O8\n1.0\n5.773213 0.000000 0.000000\n2.886607 5.076439 -0.027905\n2.886607 1.665837 4.795414\nLi V Cr O\n2 2 2 8\ndirect\n0.125101 0.124899 0.124898 Li\n0.874899 0.875103 0.875100 Li\n0.000001 0.500001 0.499999 V\n0.500000 0.500001 0.499999 V\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 -0.000001 Cr\n0.257322 0.264534 0.264533 O\n0.259304 0.264291 0.717103 O\n0.259304 0.717104 0.264289 O\n0.713612 0.264534 0.264533 O\n0.286389 0.735467 0.735465 O\n0.740697 0.735711 0.282895 O\n0.740697 0.282897 0.735709 O\n0.742679 0.735467 0.735465 O\n",
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{
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"structure_string": "Li4 Mn5 O9 F1\n1.0\n5.105830 -0.022510 -0.007446\n-1.166818 5.209832 0.021507\n-1.787516 -2.535110 7.123743\nLi Mn O F\n4 5 9 1\ndirect\n0.893720 0.811147 0.306912 Li\n0.495091 0.962192 0.477413 Li\n0.112138 0.183449 0.689435 Li\n0.717544 0.414103 0.919124 Li\n0.202145 0.402580 0.391715 Mn\n0.008779 0.984451 0.006495 Mn\n0.601331 0.183320 0.200778 Mn\n0.792552 0.592628 0.597368 Mn\n0.389041 0.790481 0.805658 Mn\n0.436033 0.459192 0.651499 O\n0.862886 0.213016 0.436881 O\n0.278535 0.030190 0.267151 O\n0.664225 0.798599 0.026917 O\n0.943215 0.338061 0.145079 O\n0.137668 0.800304 0.571265 O\n0.555958 0.598505 0.371142 O\n0.001608 0.633933 0.842961 O\n0.356271 0.138939 0.952565 O\n0.750129 0.056445 0.737407 F\n",
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"formula_full": "Li4 Mn5 O9 F1",
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{
"id": "jvasp-17689",
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"updated_at": "2022-09-04T14:38:28.614382Z",
"structure_string": "U2 Cu2 P2 O2\n1.0\n3.762306 0.000000 0.000000\n0.000000 3.762306 -0.000000\n0.000000 0.000000 8.300150\nU Cu P O\n2 2 2 2\ndirect\n0.500001 0.000000 0.336746 U\n0.000000 0.500001 0.663254 U\n0.500001 0.500001 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.000000 0.500001 0.179436 P\n0.500001 0.000000 0.820564 P\n0.000000 0.000000 0.500000 O\n0.500001 0.500001 0.500000 O\n",
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"density_atomic": 0.06809195691231645,
"volume": 117.48817867434445,
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},
{
"id": "jvasp-51607",
"created_at": "2022-09-04T14:38:30.557105Z",
"updated_at": "2022-09-04T14:38:30.557116Z",
"structure_string": "In4 Si2 Ag4 Se12\n1.0\n7.126819 0.021202 2.135749\n3.155020 6.390449 2.135749\n0.028468 0.017753 12.781211\nIn Si Ag Se\n4 2 4 12\ndirect\n0.513857 0.319443 0.938877 In\n0.319444 0.513856 0.438877 In\n0.294993 0.173441 0.740553 In\n0.173441 0.294992 0.240553 In\n0.404360 0.934350 0.497898 Si\n0.934351 0.404359 0.997897 Si\n0.801070 0.396638 0.584862 Ag\n0.802800 0.992043 0.247985 Ag\n0.396639 0.801070 0.084862 Ag\n0.992044 0.802799 0.747985 Ag\n0.646191 0.605047 0.912358 Se\n0.046992 0.529052 0.627326 Se\n0.167755 0.649598 0.252555 Se\n0.604220 0.109385 0.453643 Se\n0.824788 0.363986 0.186113 Se\n0.109386 0.604220 0.953643 Se\n0.085270 0.100322 0.444931 Se\n0.649599 0.167755 0.752555 Se\n0.100323 0.085269 0.944931 Se\n0.605048 0.646190 0.412358 Se\n0.529053 0.046992 0.127326 Se\n0.363987 0.824787 0.686113 Se\n",
"nsites": 22,
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"elements": [
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],
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{
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"created_at": "2022-09-04T14:38:16.747764Z",
"updated_at": "2022-09-04T14:38:16.747775Z",
"structure_string": "Li1 Mn3 O4 F2\n1.0\n4.161819 -0.063809 2.603660\n-1.067427 4.618975 -2.795126\n0.013386 0.031636 5.403691\nLi Mn O F\n1 3 4 2\ndirect\n0.602140 0.893609 0.611637 Li\n0.156516 0.436614 0.163694 Mn\n0.380323 0.071892 0.353118 Mn\n0.830519 0.502437 0.853458 Mn\n0.094450 0.280990 0.459498 O\n0.543506 0.739764 0.217350 O\n0.764862 0.267138 0.104585 O\n0.449489 0.261151 0.765483 O\n0.225522 0.767552 0.929988 F\n0.952678 0.778859 0.541184 F\n",
"nsites": 10,
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"formula_full": "Li1 Mn3 O4 F2",
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{
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"created_at": "2022-09-04T14:38:08.906937Z",
"updated_at": "2022-09-04T14:38:08.906947Z",
"structure_string": "Li8 Mn2 O4 F4\n1.0\n0.000000 5.974332 0.059100\n4.932059 0.000000 0.000000\n0.000000 -1.122285 -6.010755\nLi Mn O F\n8 2 4 4\ndirect\n0.166667 0.475999 0.920647 Li\n0.391894 0.992187 0.795473 Li\n0.608107 0.492187 0.704528 Li\n0.833335 0.975999 0.579355 Li\n0.166666 0.024001 0.420646 Li\n0.391894 0.507814 0.295473 Li\n0.608106 0.007814 0.204527 Li\n0.833334 0.524001 0.079354 Li\n0.000000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.880372 0.691394 0.803861 O\n0.119629 0.191394 0.696140 O\n0.880371 0.808606 0.303861 O\n0.119629 0.308606 0.196140 O\n0.613972 0.241359 0.951178 F\n0.386029 0.741359 0.548823 F\n0.613972 0.258641 0.451177 F\n0.386029 0.758641 0.048823 F\n",
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"formula_full": "Li8 Mn2 O4 F4",
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{
"id": "jvasp-109230",
"created_at": "2022-09-04T14:38:10.328855Z",
"updated_at": "2022-09-04T14:38:10.328876Z",
"structure_string": "K2 Li1 Bi1 Br6\n1.0\n6.741386 -0.000000 3.892141\n2.247129 6.355839 3.892141\n-0.000000 -0.000000 7.784282\nK Li Bi Br\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.741791 0.258209 0.258209 Br\n0.258209 0.258209 0.741791 Br\n0.258209 0.741791 0.741790 Br\n0.258209 0.741791 0.258209 Br\n0.741791 0.258209 0.741790 Br\n0.741791 0.741791 0.258209 Br\n",
"nsites": 10,
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{
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"created_at": "2022-09-04T14:38:29.999143Z",
"updated_at": "2022-09-04T14:38:29.999159Z",
"structure_string": "Rb2 Al2 Sb2 O7\n1.0\n2.867198 -4.966132 0.000000\n2.867198 4.966132 -0.000000\n0.000000 -0.000000 8.356913\nRb Al Sb O\n2 2 2 7\ndirect\n0.333333 0.666667 0.407889 Rb\n0.666667 0.333333 0.592111 Rb\n0.000000 0.000000 0.793075 Al\n0.000000 0.000000 0.206925 Al\n0.666667 0.333333 0.151468 Sb\n0.333333 0.666667 0.848532 Sb\n0.168039 0.336079 0.716736 O\n0.336079 0.168039 0.283264 O\n0.663922 0.831962 0.716736 O\n0.168039 0.831961 0.716736 O\n0.831962 0.663922 0.283264 O\n0.000000 0.000000 0.000000 O\n0.831961 0.168039 0.283264 O\n",
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],
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{
"id": "jvasp-44747",
"created_at": "2022-09-04T14:38:09.014954Z",
"updated_at": "2022-09-04T14:38:09.014989Z",
"structure_string": "Li4 Mg1 Co3 O8\n1.0\n-1.621484 2.498140 4.873401\n0.000000 2.978240 -4.873401\n-4.968775 1.507052 -2.425743\nLi Mg Co O\n4 1 3 8\ndirect\n0.500000 -0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n-0.000000 -0.000001 0.500000 Li\n0.000000 0.499999 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 -0.000000 Co\n0.500000 0.500000 -0.000000 Co\n0.000000 0.500000 -0.000000 Co\n0.738532 0.477063 0.784405 O\n0.726815 0.975958 0.774898 O\n0.249144 0.498287 0.774898 O\n0.249144 0.975958 0.774898 O\n0.750856 0.024042 0.225102 O\n0.750856 0.501712 0.225102 O\n0.273185 0.024041 0.225102 O\n0.261468 0.522937 0.215595 O\n",
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{
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"created_at": "2022-09-04T14:38:28.634512Z",
"updated_at": "2022-09-04T14:38:28.634527Z",
"structure_string": "Rb2 U3 I4 O20\n1.0\n7.056271 -0.046775 0.026709\n-0.362603 7.841717 -0.058136\n-2.322832 -0.159809 8.778012\nRb U I O\n2 3 4 20\ndirect\n0.236982 0.575105 0.859384 Rb\n0.763018 0.424896 0.140615 Rb\n0.548780 0.925071 0.198268 U\n0.451220 0.074929 0.801732 U\n0.000000 0.000000 0.000000 U\n0.302027 0.347046 0.431586 I\n0.873009 0.190747 0.612071 I\n0.126991 0.809253 0.387929 I\n0.697973 0.652955 0.568413 I\n0.486188 0.299006 0.871030 O\n0.570629 0.824464 0.449539 O\n0.888230 0.887073 0.285374 O\n0.953219 0.723915 0.567138 O\n0.115333 0.605425 0.290422 O\n0.415015 0.853450 0.724668 O\n0.884668 0.394576 0.709577 O\n0.052487 0.227188 0.056921 O\n0.353417 0.517490 0.577646 O\n0.429371 0.175537 0.550460 O\n0.308792 0.984720 0.986187 O\n0.691208 0.015281 0.013813 O\n0.770481 0.063549 0.754140 O\n0.229519 0.936452 0.245860 O\n0.646583 0.482511 0.422353 O\n0.046782 0.276086 0.432861 O\n0.584986 0.146551 0.275332 O\n0.513812 0.700995 0.128969 O\n0.111771 0.112928 0.714626 O\n0.947514 0.772813 0.943078 O\n",
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{
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"created_at": "2022-09-04T14:38:16.538882Z",
"updated_at": "2022-09-04T14:38:16.538912Z",
"structure_string": "Ce2 Si4 Os1 Ru3\n1.0\n4.215566 0.000000 0.000000\n0.000000 4.215566 0.000000\n0.000000 0.000000 9.720905\nCe Si Os Ru\n2 4 1 3\ndirect\n0.500001 0.000000 0.750089 Ce\n-0.000000 0.500001 0.249910 Ce\n-0.000000 0.500001 0.881251 Si\n0.500001 0.000000 0.382861 Si\n0.500001 0.000000 0.118748 Si\n-0.000000 0.500001 0.617139 Si\n0.500001 0.500001 -0.000000 Os\n0.000000 0.000000 0.500000 Ru\n0.000000 0.000000 0.000000 Ru\n0.500001 0.500001 0.500000 Ru\n",
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"formula_full": "Ce2 Si4 Os1 Ru3",
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{
"id": "jvasp-109835",
"created_at": "2022-09-04T14:38:09.183743Z",
"updated_at": "2022-09-04T14:38:09.183767Z",
"structure_string": "Na2 Sm1 Cu1 Cl6\n1.0\n6.298724 -0.000000 3.636570\n2.099575 5.938494 3.636570\n-0.000000 -0.000000 7.273140\nNa Sm Cu Cl\n2 1 1 6\ndirect\n0.749999 0.749999 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Sm\n0.499999 0.500000 0.500000 Cu\n0.741279 0.258720 0.258720 Cl\n0.258720 0.258720 0.741280 Cl\n0.258719 0.741280 0.741281 Cl\n0.258719 0.741280 0.258720 Cl\n0.741279 0.258720 0.741280 Cl\n0.741279 0.741280 0.258721 Cl\n",
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]
}