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{
"id": "jvasp-48224",
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"structure_string": "Li2 Fe2 C4 O12\n1.0\n0.000000 4.534602 -0.501542\n7.935297 0.000000 0.000000\n0.000000 -1.446399 -5.625764\nLi Fe C O\n2 2 4 12\ndirect\n0.039732 0.948693 0.832467 Li\n0.960267 0.448692 0.167532 Li\n0.619758 0.985007 0.303389 Fe\n0.380240 0.485007 0.696610 Fe\n0.104866 0.759724 0.423358 C\n0.895133 0.259723 0.576641 C\n0.593608 0.737957 0.941593 C\n0.406391 0.237957 0.058406 C\n0.318954 0.736518 0.850629 O\n0.681045 0.236518 0.149370 O\n0.726259 0.877144 0.017600 O\n0.736566 0.599151 0.945590 O\n0.742195 0.392515 0.602629 O\n0.215800 0.608712 0.409997 O\n0.835815 0.776680 0.462376 O\n0.164184 0.276680 0.537624 O\n0.273741 0.377144 -0.017600 O\n0.257804 0.892515 0.397370 O\n0.784199 0.108712 0.590002 O\n0.263433 0.099151 0.054410 O\n",
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{
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"created_at": "2022-09-04T14:38:15.351112Z",
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"structure_string": "Rb2 Bi1 Au1 F6\n1.0\n5.743229 -0.000000 3.315855\n1.914410 5.414769 3.315855\n-0.000000 -0.000000 6.631710\nRb Bi Au F\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Bi\n0.500000 0.500000 0.499999 Au\n0.759488 0.240512 0.240511 F\n0.240512 0.240512 0.759487 F\n0.240512 0.759488 0.759487 F\n0.240512 0.759488 0.240511 F\n0.759488 0.240512 0.759487 F\n0.759488 0.759488 0.240511 F\n",
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{
"id": "jvasp-57325",
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"updated_at": "2022-09-04T14:38:14.456370Z",
"structure_string": "Rb2 Zr2 Mn2 F14\n1.0\n0.000000 6.440938 -0.019952\n8.328518 0.000000 0.000000\n0.000000 -2.975734 -5.712330\nRb Zr Mn F\n2 2 2 14\ndirect\n0.000000 0.500000 0.500000 Rb\n0.000000 0.000000 0.500000 Rb\n0.690958 0.250000 0.808726 Zr\n0.309043 0.750000 0.191274 Zr\n0.308330 0.250000 0.191378 Mn\n0.691671 0.750000 0.808622 Mn\n0.298978 0.504915 0.201155 F\n0.496476 0.750000 0.004014 F\n0.503525 0.250000 0.995985 F\n0.943222 0.250000 0.160943 F\n0.665192 0.250000 0.467619 F\n0.298978 0.995085 0.201155 F\n0.701023 0.495085 0.798845 F\n0.056778 0.750000 0.839056 F\n0.967889 0.750000 0.165409 F\n0.334809 0.750000 0.532381 F\n0.338759 0.250000 0.556373 F\n0.661242 0.750000 0.443626 F\n0.701023 0.004915 0.798845 F\n0.032112 0.250000 0.834590 F\n",
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{
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"created_at": "2022-09-04T14:38:15.361581Z",
"updated_at": "2022-09-04T14:38:15.361619Z",
"structure_string": "Li3 Co1 N6 O12\n1.0\n6.219498 -0.240887 -0.187916\n1.772131 5.966552 -0.187916\n1.772131 1.269658 5.832925\nLi Co N O\n3 1 6 12\ndirect\n0.266852 0.266852 0.266852 Li\n0.500000 0.500000 0.500000 Li\n0.733149 0.733148 0.733148 Li\n0.000000 0.000000 0.000000 Co\n0.206229 0.206229 0.833210 N\n0.206229 0.833209 0.206229 N\n0.166790 0.793771 0.793771 N\n0.833210 0.206229 0.206229 N\n0.793771 0.166790 0.793771 N\n0.793771 0.793770 0.166790 N\n0.935275 0.296520 0.296519 O\n0.703480 0.064725 0.703480 O\n0.703481 0.703480 0.064724 O\n0.378176 0.750632 0.750632 O\n0.621824 0.249367 0.249367 O\n0.249367 0.249367 0.621824 O\n0.296520 0.935275 0.296519 O\n0.064725 0.703480 0.703480 O\n0.249368 0.621824 0.249367 O\n0.750633 0.750632 0.378176 O\n0.296520 0.296520 0.935275 O\n0.750633 0.378176 0.750632 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:26.897586Z",
"updated_at": "2022-09-04T14:38:26.897595Z",
"structure_string": "Cu2 As2 Pb2 O8\n1.0\n4.895984 -0.033777 0.044465\n0.540398 5.839303 -0.030531\n2.092024 1.361159 7.613345\nCu As Pb O\n2 2 2 8\ndirect\n0.363868 0.807282 0.995592 Cu\n0.636131 0.192717 0.004409 Cu\n0.580535 0.796308 0.313085 As\n0.419464 0.203691 0.686917 As\n0.071923 0.289655 0.316781 Pb\n0.928076 0.710344 0.683220 Pb\n0.781090 0.030354 0.185981 O\n0.218909 0.969644 0.814020 O\n0.223378 0.378048 0.562391 O\n0.492941 0.371784 0.826900 O\n0.727657 0.091213 0.563326 O\n0.272341 0.908786 0.436675 O\n0.776621 0.621951 0.437610 O\n0.507058 0.628214 0.173101 O\n",
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],
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{
"id": "jvasp-109322",
"created_at": "2022-09-04T14:38:27.619686Z",
"updated_at": "2022-09-04T14:38:27.619718Z",
"structure_string": "Tb2 P2 Os4 C2\n1.0\n5.902177 -0.005906 0.000000\n-4.647711 3.637928 0.000000\n-0.000000 0.000000 7.068721\nTb P Os C\n2 2 4 2\ndirect\n0.543829 0.456171 0.250000 Tb\n0.456172 0.543828 0.750000 Tb\n0.268763 0.731238 0.250000 P\n0.731238 0.268762 0.750000 P\n0.834321 0.165678 0.052149 Os\n0.165680 0.834321 0.947851 Os\n0.165680 0.834321 0.552148 Os\n0.834321 0.165678 0.447851 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"density_atomic": 0.06597028908118696,
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"formula_full": "Tb2 P2 Os4 C2",
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},
{
"id": "jvasp-46956",
"created_at": "2022-09-04T14:38:07.287694Z",
"updated_at": "2022-09-04T14:38:07.287732Z",
"structure_string": "Li3 V3 Cr1 O8\n1.0\n-4.014529 -0.002060 0.002403\n2.004414 6.064385 0.025395\n-0.002894 -1.870128 -6.164327\nLi V Cr O\n3 3 1 8\ndirect\n0.057917 0.120826 0.359861 Li\n0.174407 0.353821 0.005194 Li\n0.936984 0.878979 0.640543 Li\n0.605953 0.216893 0.701261 V\n0.291019 0.587047 0.700750 V\n0.392680 0.790350 0.287186 V\n0.713550 0.432104 0.311014 Cr\n0.651245 0.307510 0.000728 O\n0.561200 0.127391 0.363945 O\n0.118056 0.241108 0.687807 O\n0.767530 0.540064 0.644556 O\n0.228398 0.461803 0.335006 O\n0.881715 0.768423 0.322419 O\n0.439770 0.884539 0.637150 O\n0.342659 0.690309 0.994918 O\n",
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{
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"updated_at": "2022-09-04T14:38:08.114876Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n3.256834 0.000000 0.000000\n-1.628417 2.820469 0.000002\n0.000000 0.000032 36.829264\nMo W Se S\n1 3 4 4\ndirect\n0.333301 0.666606 0.469667 Mo\n0.333308 0.666618 0.093908 W\n0.666697 0.333396 0.281792 W\n0.666700 0.333401 0.657583 W\n0.333348 0.666699 0.328158 Se\n0.333350 0.666705 0.703841 Se\n0.333348 0.666699 0.235407 Se\n0.333351 0.666706 0.611200 Se\n0.666648 0.333296 0.051841 S\n0.666644 0.333291 0.427747 S\n0.666647 0.333295 0.136021 S\n0.666643 0.333289 0.511582 S\n",
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{
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"structure_string": "In1 Fe2 Cu1 Se4\n1.0\n5.239987 0.000000 -2.350528\n-1.054389 5.132808 -2.350528\n0.012928 0.015854 7.044783\nIn Fe Cu Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 In\n0.750001 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.500000 0.500000 -0.000000 Cu\n0.399735 0.399735 0.265733 Se\n0.600266 0.134001 0.734266 Se\n0.134002 0.600265 0.734266 Se\n0.865999 0.865999 0.265733 Se\n",
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{
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"structure_string": "Na6 Li2 P4 O14\n1.0\n-2.755504 -4.573100 0.000000\n-2.755504 4.573100 0.000000\n0.000000 0.000000 -12.253921\nNa Li P O\n6 2 4 14\ndirect\n0.655875 0.655875 0.000000 Na\n0.344123 0.344123 0.500000 Na\n0.301309 0.955468 0.879883 Na\n0.955468 0.301309 0.120117 Na\n0.698690 0.044531 0.379883 Na\n0.044531 0.698690 0.620117 Na\n0.539597 0.460401 0.750000 Li\n0.460401 0.539597 0.250000 Li\n0.689651 0.024880 0.647859 P\n0.024880 0.689651 0.352141 P\n0.975119 0.310348 0.852141 P\n0.310348 0.975119 0.147859 P\n0.867867 0.216860 0.555325 O\n0.454341 0.091619 0.686998 O\n0.091619 0.454341 0.313002 O\n0.545657 0.908379 0.186998 O\n0.908379 0.545657 0.813001 O\n0.216860 0.867867 0.444675 O\n0.292320 0.416789 0.872210 O\n0.783138 0.132131 0.944675 O\n0.583209 0.707678 0.627790 O\n0.707678 0.583209 0.372210 O\n0.416789 0.292320 0.127790 O\n0.909426 0.090573 0.750000 O\n0.132131 0.783138 0.055325 O\n0.090573 0.909426 0.250000 O\n",
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},
{
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"created_at": "2022-09-04T14:38:14.311089Z",
"updated_at": "2022-09-04T14:38:14.311112Z",
"structure_string": "Ba1 Ta2 Bi2 O9\n1.0\n3.922980 0.000000 -0.596794\n-0.090789 3.921929 -0.596794\n-0.064207 -0.065710 12.770041\nBa Ta Bi O\n1 2 2 9\ndirect\n0.000000 0.000000 0.000000 Ba\n0.410966 0.410967 0.821934 Ta\n0.589033 0.589033 0.178067 Ta\n0.200826 0.200827 0.401654 Bi\n0.799172 0.799173 0.598347 Bi\n0.581810 0.081811 0.163621 O\n0.081810 0.581811 0.163621 O\n0.418188 0.918190 0.836380 O\n0.918189 0.418190 0.836380 O\n0.249999 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.335387 0.335387 0.670776 O\n0.664612 0.664613 0.329225 O\n0.749999 0.250000 0.500000 O\n",
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],
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{
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"created_at": "2022-09-04T14:38:07.882152Z",
"updated_at": "2022-09-04T14:38:07.882177Z",
"structure_string": "Li3 Fe2 Si2 O8\n1.0\n5.003691 0.012395 0.013947\n-0.047986 5.313935 -0.003771\n0.007367 -0.064235 6.377099\nLi Fe Si O\n3 2 2 8\ndirect\n0.501893 0.176681 0.002317 Li\n0.005479 0.821332 0.501477 Li\n0.998777 0.342552 0.754176 Li\n0.005985 0.829645 0.017207 Fe\n0.501497 0.167351 0.500351 Fe\n0.009980 0.325715 0.252745 Si\n0.503419 0.678181 0.754769 Si\n0.894396 0.185685 0.035140 O\n0.333787 0.279253 0.253255 O\n0.934405 0.624263 0.254129 O\n0.891549 0.188932 0.469407 O\n0.394199 0.827575 0.547872 O\n0.836149 0.684905 0.761863 O\n0.400654 0.379838 0.746472 O\n0.385758 0.827647 0.961501 O\n",
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}
]
}