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{
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{
"id": "jvasp-42817",
"created_at": "2022-09-04T14:35:47.053819Z",
"updated_at": "2022-09-04T14:35:47.053844Z",
"structure_string": "Li8 Co1 O5 F1\n1.0\n5.243399 0.008417 -0.027492\n-2.143334 4.814675 0.023259\n-2.461346 -1.228364 5.021623\nLi Co O F\n8 1 5 1\ndirect\n0.241598 0.466366 0.355533 Li\n0.125003 0.229552 0.662022 Li\n0.409856 0.888315 0.647185 Li\n0.719125 0.365371 0.011497 Li\n0.325266 0.682111 0.981022 Li\n0.570909 0.096410 0.342709 Li\n0.900008 0.795154 0.364365 Li\n0.762835 0.523295 0.656944 Li\n0.949739 0.961924 0.974452 Co\n0.495512 0.581123 0.761138 O\n0.865299 0.104412 0.231498 O\n0.161791 0.771198 0.228832 O\n0.811695 0.203110 0.751715 O\n0.115031 0.887458 0.756330 O\n0.546335 0.444205 0.274760 F\n",
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{
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"structure_string": "Li6 Fe1 O5 F1\n1.0\n5.452032 0.120005 0.049819\n2.638528 4.872090 0.006254\n2.520553 1.636130 4.636001\nLi Fe O F\n6 1 5 1\ndirect\n0.692207 0.465525 0.055338 Li\n0.511787 0.086030 0.748709 Li\n0.914002 0.306352 0.508378 Li\n0.077555 0.706013 0.472231 Li\n0.518247 0.914641 0.267575 Li\n0.256520 0.487509 0.925841 Li\n0.036104 0.987569 0.961646 Fe\n0.359425 0.808626 0.089285 O\n0.923783 0.667347 0.211840 O\n0.209506 0.888687 0.647624 O\n0.101488 0.341098 0.789952 O\n0.656160 0.211697 0.918607 O\n0.778215 0.129264 0.385406 F\n",
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"formula_anonymous": "ABC5D6",
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{
"id": "jvasp-42552",
"created_at": "2022-09-04T14:35:47.643827Z",
"updated_at": "2022-09-04T14:35:47.643860Z",
"structure_string": "Mn6 O7 F5\n1.0\n4.530531 -0.015064 0.015042\n0.074127 5.506425 0.001196\n0.102275 0.389827 7.566477\nMn O F\n6 7 5\ndirect\n0.462596 0.480437 0.986322 Mn\n0.518393 0.160373 0.333159 Mn\n0.522613 0.819830 0.663697 Mn\n0.990923 0.678583 0.323128 Mn\n0.960291 0.347356 0.673877 Mn\n0.012727 0.009670 0.019126 Mn\n0.206188 0.709724 0.104360 O\n0.304284 0.199048 0.115076 O\n0.302369 0.538380 0.759207 O\n0.803680 0.285711 0.904843 O\n0.807625 0.970986 0.230947 O\n0.792305 0.631475 0.544070 O\n0.692257 0.123384 0.564876 O\n0.202691 0.373079 0.429362 F\n0.727742 0.794940 0.912532 F\n0.700609 0.480722 0.216774 F\n0.273945 0.872271 0.436260 F\n0.218773 0.024036 0.782388 F\n",
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{
"id": "jvasp-97854",
"created_at": "2022-09-04T14:35:47.874141Z",
"updated_at": "2022-09-04T14:35:47.874158Z",
"structure_string": "Ag2 N2 O6\n1.0\n4.508827 -0.673828 5.488817\n1.340690 3.589556 5.025757\n0.311809 -0.116120 7.497970\nAg N O\n2 2 6\ndirect\n0.358130 0.545435 0.514501 Ag\n-0.647873 0.378100 0.157446 Ag\n0.806459 0.920896 0.458538 N\n-0.001231 -0.030100 0.676961 N\n0.929833 0.195523 0.181904 O\n0.651811 -0.165754 0.277741 O\n0.735243 -0.938621 0.766683 O\n0.506522 0.948069 -0.322719 O\n-0.031282 0.610453 0.540238 O\n-0.033808 0.809802 0.022507 O\n",
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],
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"density_atomic": 0.08149733550706997,
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{
"id": "jvasp-53573",
"created_at": "2022-09-04T14:35:48.046567Z",
"updated_at": "2022-09-04T14:35:48.046585Z",
"structure_string": "K1 Bi2 F7\n1.0\n3.779966 0.047399 -0.318572\n1.903806 4.005125 -0.260272\n-0.373051 -0.240483 10.267718\nK Bi F\n1 2 7\ndirect\n0.630017 0.584806 0.679701 K\n0.939512 0.123568 0.980891 Bi\n0.510434 0.180938 0.348973 Bi\n0.295758 0.334618 0.880546 F\n-0.048182 -0.033605 0.770005 F\n0.111505 0.970571 0.243749 F\n0.180532 0.088923 0.509691 F\n0.830651 0.619470 0.365985 F\n0.640250 0.717047 0.987727 F\n0.386194 0.318339 0.137401 F\n",
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"formula_full": "K1 Bi2 F7",
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},
{
"id": "jvasp-48403",
"created_at": "2022-09-04T14:35:48.593794Z",
"updated_at": "2022-09-04T14:35:48.593810Z",
"structure_string": "V4 O7 F5\n1.0\n5.079763 0.023351 0.001426\n-0.027724 5.275186 -0.035749\n-0.030102 -0.402225 7.211738\nV O F\n4 7 5\ndirect\n0.536170 0.475211 0.519560 V\n0.461062 0.470866 0.019822 V\n0.975180 0.975484 0.509205 V\n0.960941 0.985402 -0.003668 V\n0.303574 0.205572 0.952173 O\n0.403946 0.505270 0.245511 O\n0.599484 0.501105 0.745577 O\n0.712968 0.209574 0.449845 O\n0.705645 0.810718 0.042465 O\n0.798679 0.710839 0.448132 O\n0.915946 0.003237 0.745233 O\n0.109105 0.003464 0.246064 F\n0.206027 0.313414 0.542961 F\n0.198967 0.699683 0.939732 F\n0.306594 0.814112 0.543591 F\n0.805715 0.316049 0.053805 F\n",
"nsites": 16,
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"elements": [
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],
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"density": 3.530714647730692,
"density_atomic": 0.08282317932014399,
"volume": 193.18263475679603,
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"formula_full": "V4 O7 F5",
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{
"id": "jvasp-44009",
"created_at": "2022-09-04T14:35:48.435857Z",
"updated_at": "2022-09-04T14:35:48.435877Z",
"structure_string": "Fe6 O5 F7\n1.0\n4.772258 0.063538 0.085620\n0.286114 5.560809 0.101076\n0.382723 0.732854 7.547463\nFe O F\n6 5 7\ndirect\n0.533626 0.850960 0.677762 Fe\n0.521980 0.480655 0.002671 Fe\n0.475560 0.183894 0.332675 Fe\n0.993956 0.318715 0.674024 Fe\n0.020266 0.654988 0.330114 Fe\n0.971151 0.018363 0.987971 Fe\n0.311171 0.470549 0.224298 O\n0.297158 0.137671 0.561622 O\n0.705627 0.525917 0.775268 O\n0.688349 0.194224 0.109778 O\n0.808836 0.039479 0.757287 O\n0.795816 0.373913 0.428828 F\n0.806936 0.700084 0.100377 F\n0.686817 0.870468 0.418920 F\n0.303198 0.789526 0.912945 F\n0.184343 0.966765 0.228551 F\n0.183120 0.625568 0.572124 F\n0.212084 0.298257 0.904786 F\n",
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{
"id": "jvasp-42739",
"created_at": "2022-09-04T14:35:48.654595Z",
"updated_at": "2022-09-04T14:35:48.654626Z",
"structure_string": "Li3 Fe6 O3 F15\n1.0\n4.397319 0.022074 0.007134\n0.107839 8.373022 -0.060221\n0.068941 4.121099 7.341040\nLi Fe O F\n3 6 3 15\ndirect\n0.513576 0.335859 0.336252 Li\n0.992608 0.002129 0.000812 Li\n0.492960 0.662049 0.666458 Li\n0.516764 0.002339 0.674142 Fe\n0.475779 0.692525 0.323026 Fe\n0.976100 0.329064 0.648730 Fe\n0.480353 0.332217 0.008403 Fe\n0.013411 0.653490 -0.003876 Fe\n0.014800 0.992104 0.351592 Fe\n0.245654 0.457165 0.090059 O\n0.734111 0.201841 0.577009 O\n0.246964 0.796600 0.430007 O\n0.755085 0.888948 0.563306 F\n0.759797 0.553624 0.887572 F\n0.757379 0.881732 0.889643 F\n0.262521 0.778101 0.779607 F\n0.740225 0.562737 0.542092 F\n0.252445 0.103007 0.782166 F\n0.746157 0.570428 0.202997 F\n0.769198 0.900521 0.229080 F\n0.238409 0.102407 0.129559 F\n0.746383 0.212246 0.233809 F\n0.252803 0.451088 0.434111 F\n0.262895 0.433874 0.772879 F\n0.230970 0.774899 0.099583 F\n0.259314 0.103124 0.459629 F\n0.763349 0.225976 0.891243 F\n",
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"formula_full": "Li3 Fe6 O3 F15",
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{
"id": "jvasp-48442",
"created_at": "2022-09-04T14:35:48.961586Z",
"updated_at": "2022-09-04T14:35:48.961608Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.591635 -0.001445 -0.002520\n0.122263 7.549416 0.024068\n0.177370 0.708943 7.530412\nMn O F\n8 8 8\ndirect\n0.486447 0.688152 0.943581 Mn\n0.434635 0.292278 0.057314 Mn\n0.484738 0.209771 0.467897 Mn\n0.571062 0.804458 0.549713 Mn\n0.014175 0.941621 0.193669 Mn\n0.031383 0.556943 0.290634 Mn\n0.013944 0.462110 0.712162 Mn\n0.990458 0.061054 0.789725 Mn\n0.808027 0.765121 0.347710 O\n0.728792 0.025727 0.599252 O\n0.739307 0.655804 0.736227 O\n0.257968 0.481577 0.910595 O\n0.265405 0.343793 0.275836 O\n0.207014 0.242556 0.657379 O\n0.235884 0.732101 0.138354 O\n0.197834 0.099933 0.012523 O\n0.288023 0.606564 0.517903 F\n0.294890 0.965435 0.403343 F\n0.259731 0.851152 0.750368 F\n0.719544 0.139323 0.232649 F\n0.724373 0.491284 0.104098 F\n0.789777 0.417608 0.482847 F\n0.714610 0.266624 0.857067 F\n0.741963 0.899006 0.969149 F\n",
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{
"id": "jvasp-52216",
"created_at": "2022-09-04T14:35:49.502152Z",
"updated_at": "2022-09-04T14:35:49.502178Z",
"structure_string": "Sc5 Cu5 O13\n1.0\n5.782426 -0.024875 0.017769\n0.932129 5.922944 0.000932\n2.900872 2.386567 7.900823\nSc Cu O\n5 5 13\ndirect\n0.700751 0.456307 0.110345 Sc\n0.101640 0.510388 0.296080 Sc\n0.499351 0.509857 0.499246 Sc\n0.899720 0.552381 0.690627 Sc\n0.300610 0.457679 0.904481 Sc\n0.430935 -0.001767 0.172957 Cu\n0.791591 0.005591 0.409594 Cu\n0.197084 0.013602 0.609176 Cu\n0.596189 0.996124 0.797549 Cu\n0.991674 0.995617 0.006996 Cu\n0.328311 0.042802 0.977237 O\n0.600361 0.330847 0.722023 O\n0.252682 0.684901 0.667686 O\n0.863513 0.950234 0.614698 O\n0.181077 0.342600 0.536533 O\n0.012474 0.659818 0.062294 O\n0.431077 0.668888 0.258338 O\n0.780380 0.330328 0.350751 O\n0.353656 0.319344 0.147297 O\n0.965463 0.331240 0.915341 O\n0.724628 0.050991 0.207232 O\n0.825680 0.683164 0.451638 O\n0.600992 0.662332 0.881162 O\n",
"nsites": 23,
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],
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"formula_full": "Sc5 Cu5 O13",
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{
"id": "jvasp-48957",
"created_at": "2022-09-04T14:35:49.663619Z",
"updated_at": "2022-09-04T14:35:49.663646Z",
"structure_string": "Li7 V1 O4 F2\n1.0\n5.367663 0.027755 -0.015241\n2.618456 4.780062 -0.014155\n2.495210 1.597403 4.933750\nLi V O F\n7 1 4 2\ndirect\n0.470376 0.894896 0.389391 Li\n0.754351 0.481567 0.662919 Li\n0.076703 0.759857 0.652792 Li\n0.374457 0.300523 0.007691 Li\n0.871741 0.222287 0.373290 Li\n0.505908 0.627303 0.102734 Li\n0.459125 0.107142 0.652168 Li\n0.972778 0.983748 0.027606 V\n0.361597 0.748314 0.791037 O\n0.201865 0.925276 0.253189 O\n0.753799 0.094296 0.765459 O\n0.602920 0.207626 0.252793 O\n0.846624 0.607906 0.274360 F\n0.074160 0.378264 0.786556 F\n",
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],
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{
"id": "jvasp-42325",
"created_at": "2022-09-04T14:35:50.341856Z",
"updated_at": "2022-09-04T14:35:50.341872Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.775314 0.012566 -0.020269\n0.001704 5.957414 0.000866\n-0.512058 -2.952819 9.499903\nFe O F\n8 6 10\ndirect\n0.479338 0.631779 0.751737 Fe\n0.504242 0.886025 0.251626 Fe\n0.529691 0.362987 0.238371 Fe\n0.485430 0.117085 0.737976 Fe\n0.018953 0.493437 0.024311 Fe\n0.025945 0.737343 0.505622 Fe\n0.950267 0.010130 0.989255 Fe\n0.005446 0.262334 0.496570 Fe\n0.308748 0.339148 0.653014 O\n0.304635 0.814362 0.650423 O\n0.327467 0.571002 0.159596 O\n0.709034 0.183595 0.343921 O\n0.788612 0.296908 0.101939 O\n0.668593 0.917591 0.846233 O\n0.232393 0.442066 0.386914 F\n0.798142 0.551730 0.603736 F\n0.812318 0.050782 0.598213 F\n0.798306 0.797529 0.103523 F\n0.688480 0.433681 0.854806 F\n0.722369 0.686590 0.358353 F\n0.275741 0.061294 0.139092 F\n0.210368 0.952096 0.402034 F\n0.186439 0.199546 0.893523 F\n0.169018 0.700958 0.909211 F\n",
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"spacegroup": 1
}
]
}