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{
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"results": [
{
"id": "jvasp-45238",
"created_at": "2022-09-04T14:38:05.143192Z",
"updated_at": "2022-09-04T14:38:05.143216Z",
"structure_string": "Li4 Fe3 Co1 O8\n1.0\n5.070396 -0.005557 0.003128\n-0.031055 5.460676 -0.001055\n-0.013624 -0.028888 6.363736\nLi Fe Co O\n4 3 1 8\ndirect\n0.994292 0.083994 0.625880 Li\n0.498934 0.418462 0.123279 Li\n0.994707 0.582287 0.876617 Li\n0.499045 0.915814 0.374612 Li\n0.004677 0.082431 0.122781 Fe\n0.495901 0.414932 0.629761 Fe\n0.998091 0.583444 0.375806 Fe\n0.502989 0.914787 0.870720 Co\n0.366432 0.069497 0.110125 O\n0.390540 0.091780 0.638735 O\n0.885703 0.412017 0.129643 O\n0.874527 0.423110 0.621010 O\n0.374991 0.573065 0.381582 O\n0.390229 0.592215 0.862739 O\n0.887138 0.915174 0.368865 O\n0.868208 0.926989 0.887849 O\n",
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{
"id": "jvasp-44652",
"created_at": "2022-09-04T14:38:05.355018Z",
"updated_at": "2022-09-04T14:38:05.355032Z",
"structure_string": "Li4 Ti1 Co3 O8\n1.0\n5.054401 -0.011447 -0.011614\n0.023403 5.454391 -0.000415\n0.033786 0.022943 6.345161\nLi Ti Co O\n4 1 3 8\ndirect\n0.002321 0.916262 0.621971 Li\n0.506917 0.582650 0.126865 Li\n0.000875 0.421818 0.872914 Li\n0.507123 0.083169 0.377516 Li\n0.499186 0.081512 0.876845 Ti\n0.010782 0.911096 0.139769 Co\n0.489589 0.578135 0.616933 Co\n0.997785 0.418563 0.369933 Co\n0.623432 0.926496 0.115111 O\n0.610402 0.915320 0.639309 O\n0.111482 0.588438 0.132415 O\n0.125692 0.574412 0.610850 O\n0.631865 0.424702 0.383226 O\n0.610025 0.403656 0.868944 O\n0.112467 0.096904 0.366855 O\n0.133660 0.076855 0.880545 O\n",
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{
"id": "jvasp-47433",
"created_at": "2022-09-04T14:38:05.504659Z",
"updated_at": "2022-09-04T14:38:05.504676Z",
"structure_string": "Li4 Mn3 O1 F11\n1.0\n5.459445 -0.177079 0.072771\n-1.173498 6.203201 -0.252591\n-0.833656 -1.925991 6.258242\nLi Mn O F\n4 3 1 11\ndirect\n0.160177 0.558331 0.340467 Li\n0.371159 0.622925 0.886992 Li\n0.610955 0.361398 0.100238 Li\n0.844455 0.449448 0.649370 Li\n0.715621 0.870559 0.414314 Mn\n-0.003322 -0.002834 0.019787 Mn\n0.286208 0.135740 0.552710 Mn\n0.017271 0.961536 0.311740 O\n0.639620 0.156001 0.424506 F\n0.335726 0.129100 0.085082 F\n0.813087 0.606362 0.442880 F\n0.547733 0.351139 0.798928 F\n0.400258 0.854204 0.554044 F\n0.187886 0.417010 0.565329 F\n0.657216 0.863541 -0.060801 F\n0.934714 0.291854 0.119458 F\n0.051931 0.703820 0.895843 F\n0.434421 0.610630 0.172922 F\n0.994863 0.059232 0.726185 F\n",
"nsites": 19,
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"density_atomic": 0.09113194117487612,
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"formula_anonymous": "AB3C4D11",
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{
"id": "jvasp-47077",
"created_at": "2022-09-04T14:38:05.549181Z",
"updated_at": "2022-09-04T14:38:05.549210Z",
"structure_string": "Li8 V1 O5 F1\n1.0\n5.341296 -0.009057 -0.007084\n-2.560167 4.720271 -0.001636\n-2.607549 -1.484815 5.057511\nLi V O F\n8 1 5 1\ndirect\n0.240876 0.478163 0.361560 Li\n0.129850 0.234607 0.655367 Li\n0.406473 0.892750 0.640213 Li\n0.716101 0.343832 0.008369 Li\n0.315882 0.686826 0.969361 Li\n0.586575 0.093056 0.358313 Li\n0.889045 0.783531 0.361644 Li\n0.755356 0.518333 0.653052 Li\n0.967800 0.975430 0.983289 V\n0.513759 0.604157 0.758947 O\n0.853352 0.090760 0.237394 O\n0.152141 0.763168 0.234320 O\n0.838375 0.228848 0.761128 O\n0.133247 0.903389 0.755232 O\n0.501168 0.403149 0.261810 F\n",
"nsites": 15,
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"density_atomic": 0.1178620706932354,
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{
"id": "jvasp-42916",
"created_at": "2022-09-04T14:38:05.676487Z",
"updated_at": "2022-09-04T14:38:05.676521Z",
"structure_string": "Fe6 O5 F7\n1.0\n4.626468 -0.010549 0.013966\n0.114223 5.630617 -0.032819\n0.108132 0.606345 7.629779\nFe O F\n6 5 7\ndirect\n0.563492 0.818388 0.652350 Fe\n0.504354 0.515816 0.016281 Fe\n0.489515 0.171104 0.336279 Fe\n0.974473 0.337078 0.688971 Fe\n0.995421 0.668705 0.318722 Fe\n0.965852 0.976127 0.984530 Fe\n0.297418 0.473663 0.231652 O\n0.713097 0.868250 0.421114 O\n0.697673 0.537161 0.790450 O\n0.795539 0.694191 0.105941 O\n0.787880 0.045553 0.761935 O\n0.793576 0.365923 0.442123 F\n0.719221 0.202349 0.108752 F\n0.285684 0.130242 0.568735 F\n0.289401 0.799835 0.885153 F\n0.212252 0.971750 0.215792 F\n0.195858 0.625835 0.560238 F\n0.219289 0.298037 0.910988 F\n",
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"density": 4.5766906729191446,
"density_atomic": 0.09052117283423858,
"volume": 198.84850622695103,
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"formula_full": "Fe6 O5 F7",
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"formula_anonymous": "A5B6C7",
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{
"id": "jvasp-40664",
"created_at": "2022-09-04T14:38:05.630810Z",
"updated_at": "2022-09-04T14:38:05.630830Z",
"structure_string": "Li12 V2 O6 F6\n1.0\n5.158023 -0.031206 0.047164\n-1.837336 -6.225697 -0.010762\n-0.272015 0.049941 -7.750969\nLi V O F\n12 2 6 6\ndirect\n0.885588 0.082336 0.342179 Li\n0.760742 0.663339 0.219762 Li\n0.710488 0.172462 0.757913 Li\n0.076471 0.451825 0.142277 Li\n0.397047 0.802029 0.908887 Li\n0.444314 0.322071 0.410466 Li\n0.554537 0.677684 0.600360 Li\n0.612652 0.196898 0.099919 Li\n0.933210 0.546899 0.853283 Li\n0.280334 0.350679 0.763514 Li\n0.326470 0.833199 0.231801 Li\n0.093119 0.912451 0.655109 Li\n0.980039 0.994024 0.011068 V\n0.962489 0.493330 0.511666 V\n0.783218 0.367567 0.294836 O\n0.968863 0.277347 0.941591 O\n0.649768 0.415088 0.643335 O\n0.663721 0.918493 0.136252 O\n0.069377 0.726505 0.051638 O\n0.215437 0.649737 0.691938 O\n0.882352 0.788180 0.449428 F\n0.232445 0.115277 0.233349 F\n0.352885 0.081912 0.858148 F\n0.330499 0.574959 0.351988 F\n0.762350 0.881042 0.778599 F\n0.071559 0.204687 0.560705 F\n",
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"density_atomic": 0.10430697882499461,
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{
"id": "jvasp-29983",
"created_at": "2022-09-04T14:38:06.015619Z",
"updated_at": "2022-09-04T14:38:06.015643Z",
"structure_string": "Ta5 O5 F15\n1.0\n4.599780 -0.762708 -1.725342\n-8.452787 21.027370 -9.577150\n-0.333163 -0.542680 4.056252\nTa O F\n5 5 15\ndirect\n0.709651 0.961533 0.013853 Ta\n0.834612 0.140227 0.849944 Ta\n0.793443 0.343746 0.866094 Ta\n0.755881 0.551795 0.916480 Ta\n0.726025 0.758783 0.965587 Ta\n0.343597 0.244146 0.381898 O\n0.296802 0.455217 0.432280 O\n0.273106 0.661111 0.484939 O\n0.236682 0.870396 0.541162 O\n0.650548 0.039566 0.250113 O\n0.746599 0.963454 0.550406 F\n0.785105 0.558041 0.461702 F\n0.755514 0.764663 0.511789 F\n0.819279 0.350806 0.415731 F\n0.866306 0.166807 0.471872 F\n0.522585 0.812745 0.067059 F\n0.974775 0.919723 0.078595 F\n0.593335 0.398272 0.975988 F\n0.679508 0.204102 0.996807 F\n0.310975 0.062013 0.563134 F\n0.106707 0.112033 0.116506 F\n0.034189 0.513923 -0.003447 F\n0.100283 0.314065 -0.000088 F\n0.570970 0.609670 0.031299 F\n0.013517 0.723158 0.060289 F\n",
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"elements": [
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],
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"density": 6.59219958278116,
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{
"id": "jvasp-40667",
"created_at": "2022-09-04T14:38:06.117671Z",
"updated_at": "2022-09-04T14:38:06.117698Z",
"structure_string": "V3 Co5 O16\n1.0\n5.600353 -0.028660 -0.025351\n2.707636 4.877722 -0.017123\n0.008207 0.019154 8.645676\nV Co O\n3 5 16\ndirect\n0.148916 0.140479 0.212479 V\n0.824232 0.368498 0.683774 V\n0.292079 0.841452 0.730850 V\n0.660852 0.163476 0.207521 Co\n0.339565 0.333814 0.479389 Co\n0.170384 0.654845 0.207028 Co\n0.833804 0.831083 0.711166 Co\n0.675290 0.667814 0.986292 Co\n0.838805 0.339831 0.100277 O\n0.661397 0.677809 0.585184 O\n0.528021 0.954035 0.837690 O\n0.960187 0.523844 0.841699 O\n0.174929 0.170950 0.608809 O\n0.836927 0.830687 0.102835 O\n0.049889 0.468468 0.340853 O\n0.996173 0.988438 0.332033 O\n0.184703 0.660081 0.601246 O\n-0.014063 0.010064 0.832822 O\n0.524602 0.522827 0.839641 O\n0.334658 0.328022 0.100272 O\n0.482238 0.475121 0.334152 O\n0.674906 0.174406 0.600280 O\n0.475213 0.042084 0.340802 O\n0.346507 0.831655 0.098635 O\n",
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{
"id": "jvasp-44706",
"created_at": "2022-09-04T14:38:06.526902Z",
"updated_at": "2022-09-04T14:38:06.526926Z",
"structure_string": "Li4 Fe1 Co3 O8\n1.0\n5.072990 -0.001926 -0.011594\n0.028600 5.368703 0.018712\n-0.010798 0.051525 6.354896\nLi Fe Co O\n4 1 3 8\ndirect\n0.997796 0.085481 0.623665 Li\n0.498228 0.412968 0.124629 Li\n0.999062 0.585894 0.875516 Li\n0.497474 0.914924 0.377046 Li\n0.500709 0.918593 0.874940 Fe\n-0.000244 0.081635 0.130200 Co\n0.502564 0.417829 0.624681 Co\n0.002795 0.582243 0.372232 Co\n0.373190 0.067001 0.117616 O\n0.385661 0.088090 0.629833 O\n0.891298 0.410409 0.135923 O\n0.864655 0.439545 0.612436 O\n0.366430 0.563752 0.384212 O\n0.388012 0.588847 0.865761 O\n0.888375 0.909358 0.368526 O\n0.870391 0.933411 0.882791 O\n",
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"formula_full": "Li4 Fe1 Co3 O8",
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"formula_anonymous": "AB3C4D8",
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{
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"created_at": "2022-09-04T14:38:06.675658Z",
"updated_at": "2022-09-04T14:38:06.675668Z",
"structure_string": "V4 O4 F12\n1.0\n-4.888713 0.078020 0.428728\n0.067094 -5.650343 -0.119578\n-0.720284 0.223263 9.324928\nV O F\n4 4 12\ndirect\n0.775142 0.534406 0.777605 V\n0.531524 0.959976 0.530198 V\n0.278690 0.460567 0.277112 V\n0.025757 0.978151 0.025616 V\n0.877939 0.752732 0.878525 O\n0.630528 0.760858 0.630182 O\n0.370862 0.249292 0.365556 O\n0.121524 0.777522 0.120392 O\n0.174427 -0.013320 0.592777 F\n0.303676 0.021270 0.882401 F\n0.380641 0.724752 0.383581 F\n0.416693 0.511716 0.838780 F\n0.556612 0.508196 0.134759 F\n0.859995 0.283792 0.866335 F\n0.672695 0.020100 0.094213 F\n0.803583 -0.017193 0.383050 F\n0.126923 0.256178 0.123731 F\n0.924626 0.496846 0.345698 F\n0.620204 0.230128 0.618781 F\n0.047952 0.504034 0.630717 F\n",
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{
"id": "jvasp-46875",
"created_at": "2022-09-04T14:38:06.833274Z",
"updated_at": "2022-09-04T14:38:06.833305Z",
"structure_string": "Li3 V4 O5 F7\n1.0\n5.728718 0.049403 0.002393\n-0.768426 5.604148 0.002440\n-0.880152 -1.198729 5.912820\nLi V O F\n3 4 5 7\ndirect\n0.591754 0.317202 0.141621 Li\n0.117517 0.589121 0.310406 Li\n0.635512 0.842420 0.355875 Li\n0.302764 0.155671 0.637047 V\n0.854201 0.405255 0.666478 V\n0.376106 0.679691 0.853739 V\n0.024666 -0.001612 0.996888 V\n0.188145 0.440948 0.580008 O\n0.034428 0.669802 0.883846 O\n0.572135 0.411942 0.797022 O\n0.969237 0.118911 0.720975 O\n0.334918 0.050802 0.938713 O\n0.589353 0.181505 0.414087 F\n0.809729 0.611115 0.443631 F\n0.458018 0.840893 0.601428 F\n0.930959 0.294045 0.136367 F\n0.384387 0.575518 0.154694 F\n0.129804 0.958633 0.324886 F\n0.696365 0.858134 0.042288 F\n",
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"elements": [
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"chemical_system": "F-Li-O-V",
"density": 3.822578727694788,
"density_atomic": 0.09995594213465986,
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"volume_molar": 6.02479515613691,
"formula_full": "Li3 V4 O5 F7",
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{
"id": "jvasp-44774",
"created_at": "2022-09-04T14:38:06.842125Z",
"updated_at": "2022-09-04T14:38:06.842143Z",
"structure_string": "Li4 Mn3 Fe1 B4 O12\n1.0\n5.220835 0.008556 -0.018347\n0.146769 6.056933 -0.054982\n0.241890 1.589573 7.695335\nLi Mn Fe B O\n4 3 1 4 12\ndirect\n0.572414 0.875924 0.806791 Li\n0.927088 0.623284 0.692297 Li\n0.070914 0.375192 0.306703 Li\n0.428008 0.125824 0.195370 Li\n0.425903 0.411404 0.825072 Mn\n0.072074 0.086725 0.673481 Mn\n0.575657 0.590996 0.177352 Mn\n0.928842 0.911255 0.323346 Fe\n0.077484 0.740683 0.000806 B\n0.575099 0.240497 0.499806 B\n0.425345 0.761908 0.498278 B\n0.922043 0.256719 0.000704 B\n0.071902 0.155642 0.137645 O\n0.339836 0.714020 0.976428 O\n0.925563 0.836424 0.864002 O\n0.035964 0.341136 0.838632 O\n0.160586 0.787099 0.517767 O\n0.572028 0.662043 0.636091 O\n0.544284 0.847906 0.338249 O\n0.463087 0.156435 0.662751 O\n0.422830 0.340302 0.364459 O\n0.837511 0.215616 0.474885 O\n0.965457 0.658903 0.164174 O\n0.660073 0.284056 0.024901 O\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-Mn-O",
"density": 3.2940677332386215,
"density_atomic": 0.09843613564258104,
"volume": 243.81290309021634,
"volume_molar": 6.117815089639675,
"formula_full": "Li4 Mn3 Fe1 B4 O12",
"formula_reduced": "Li4Mn3Fe(BO3)4",
"formula_anonymous": "AB3C4D4E12",
"energy_above_hull": 3.406012064894636,
"spacegroup": 1
}
]
}