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{
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{
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"structure_string": "Li4 Co2 O1 F7\n1.0\n-4.168579 4.168579 0.017934\n4.114457 -0.036457 4.217276\n4.077999 4.077999 -0.000000\nLi Co O F\n4 2 1 7\ndirect\n0.006883 -0.000495 0.000248 Li\n0.255142 0.523198 0.238401 Li\n0.625929 0.744739 0.627631 Li\n0.113262 0.742441 0.628780 Li\n0.637546 0.250092 0.153879 Co\n0.637546 0.250092 0.596028 Co\n0.862559 0.242110 0.378945 O\n0.355559 0.232527 0.383737 F\n0.854491 0.721661 0.397937 F\n0.872868 0.263009 0.868495 F\n0.412545 0.256247 0.871877 F\n0.854491 0.721661 0.880403 F\n0.380588 0.776359 0.378202 F\n0.380588 0.776359 0.845440 F\n",
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{
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"structure_string": "Li2 Co10 O14 F2\n1.0\n5.689011 0.033021 -0.086734\n2.813596 4.688744 1.572532\n0.094075 0.046214 9.887271\nLi Co O F\n2 10 14 2\ndirect\n0.012736 0.008518 0.004253 Li\n0.512735 0.008446 0.504254 Li\n0.935242 0.619342 0.809670 Co\n0.435214 0.619324 0.309666 Co\n0.928991 0.125548 0.309665 Co\n0.682094 0.619359 0.062775 Co\n0.429014 0.125567 0.809671 Co\n0.438609 0.625743 0.812863 Co\n0.938584 0.625719 0.312869 Co\n0.867444 0.244940 0.622481 Co\n0.367403 0.244970 0.122475 Co\n0.182125 0.619326 0.562775 Co\n0.069302 0.860661 0.208646 O\n0.347620 0.860672 0.930330 O\n0.847630 0.860633 0.430341 O\n0.790990 0.417313 0.930341 O\n0.290988 0.417269 0.430341 O\n0.569330 0.860680 0.708650 O\n0.305305 0.387251 0.918042 O\n0.076522 0.384338 0.692180 O\n0.080920 0.836072 0.693618 O\n0.580881 0.836087 0.193625 O\n0.529726 0.387272 0.693629 O\n0.029685 0.387276 0.193625 O\n0.576491 0.384346 0.192169 O\n0.805278 0.387227 0.418040 O\n0.309589 0.873028 0.436508 F\n0.809595 0.873055 0.936511 F\n",
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{
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"structure_string": "Li3 Co5 O1 F11\n1.0\n4.932387 0.039481 1.418767\n-2.827614 4.813586 0.502972\n0.039514 0.235030 8.909783\nLi Co O F\n3 5 1 11\ndirect\n0.161313 0.373712 0.058028 Li\n0.144496 0.859416 0.582046 Li\n0.859062 0.641239 0.930035 Li\n0.358876 0.872613 0.162495 Co\n0.335560 0.358660 0.658604 Co\n0.626055 0.613235 0.339809 Co\n0.653121 0.136376 0.838520 Co\n0.876499 0.127622 0.424091 Co\n0.239613 0.288853 0.469552 O\n0.558007 0.112946 0.629044 F\n0.426174 0.362974 0.867516 F\n0.766502 0.720546 0.534202 F\n0.756509 0.238416 0.037518 F\n0.053436 0.026763 0.210740 F\n0.557568 0.624574 0.123487 F\n0.449637 0.893710 0.375262 F\n0.050761 0.527695 0.724037 F\n0.947120 0.482908 0.281192 F\n0.247660 0.772870 0.965762 F\n0.932042 0.964876 0.788055 F\n",
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{
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"created_at": "2022-09-04T14:36:47.035900Z",
"updated_at": "2022-09-04T14:36:47.035917Z",
"structure_string": "Li2 Co4 O2 F6\n1.0\n0.000000 4.176676 4.176676\n4.256615 0.021204 4.155470\n4.374775 4.280300 -0.103625\nLi Co O F\n2 4 2 6\ndirect\n0.625001 0.125000 0.624999 Li\n0.625000 0.625001 0.125000 Li\n0.985832 0.962394 0.065942 Co\n0.264168 0.287608 0.184058 Co\n0.125000 0.625001 0.624999 Co\n0.625001 0.625001 0.624999 Co\n0.386425 0.410327 0.816825 O\n0.863576 0.839675 0.433174 O\n0.388540 0.377956 0.371916 F\n0.861590 0.377956 0.371916 F\n0.391327 0.871794 0.345554 F\n0.858674 0.378208 0.904445 F\n0.388411 0.872046 0.878083 F\n0.861461 0.872046 0.878083 F\n",
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"structure_string": "Li4 Co4 O2 F12\n1.0\n5.303852 0.099438 0.082915\n0.966966 6.737850 -0.009268\n2.345760 2.485235 7.599997\nLi Co O F\n4 4 2 12\ndirect\n0.110605 0.444957 0.263012 Li\n0.580780 0.268358 0.320695 Li\n0.419221 0.731642 0.679305 Li\n0.889396 0.555042 0.736987 Li\n0.268716 0.007258 0.190687 Co\n0.752773 0.783618 0.297797 Co\n0.247227 0.216382 0.702202 Co\n0.731284 0.992741 0.809312 Co\n0.419589 0.864632 0.367383 O\n0.580412 0.135368 0.632616 O\n0.298133 0.081787 0.937764 F\n0.874938 0.261667 0.797217 F\n0.252858 0.496212 0.720503 F\n0.778128 0.682713 0.529320 F\n0.221873 0.317287 0.470679 F\n0.374011 0.280698 0.157122 F\n0.125063 0.738333 0.202782 F\n0.701868 0.918213 0.062236 F\n0.887546 0.069750 0.277154 F\n0.112455 0.930250 0.722845 F\n0.747143 0.503788 0.279497 F\n0.625989 0.719302 0.842877 F\n",
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{
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"structure_string": "Li2 Co4 O7 F1\n1.0\n4.944561 0.055108 2.774325\n1.625868 4.669932 2.774325\n0.023302 0.016757 5.666905\nLi Co O F\n2 4 7 1\ndirect\n0.500179 0.500178 -0.003495 Li\n0.883911 0.883912 0.867341 Li\n0.114621 0.114621 0.134326 Co\n0.492981 0.003000 0.492117 Co\n0.003000 0.492981 0.492117 Co\n0.501669 0.501669 0.506056 Co\n0.737143 0.737143 0.287016 O\n0.752575 0.290544 0.713629 O\n0.290543 0.752575 0.713629 O\n0.717238 0.248018 0.282913 O\n0.250732 0.250732 0.271852 O\n0.248018 0.717238 0.282913 O\n0.259974 0.259975 0.720900 O\n0.746829 0.746829 0.739256 F\n",
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{
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"structure_string": "Li8 Co2 O2 F10\n1.0\n4.858402 -0.018727 -2.204937\n-2.654661 6.711814 0.000827\n0.105741 0.041283 6.483885\nLi Co O F\n8 2 2 10\ndirect\n0.725651 0.681638 0.618723 Li\n0.725651 0.181637 0.618721 Li\n0.274732 0.318877 0.383120 Li\n0.274731 0.818878 0.383121 Li\n0.670170 0.167737 0.198381 Li\n0.670171 0.667738 0.198383 Li\n0.330204 0.832782 0.803461 Li\n0.330203 0.332782 0.803459 Li\n0.000173 0.500258 0.000914 Co\n0.000172 0.000253 0.000914 Co\n0.000172 0.750256 0.000909 O\n0.000173 0.250253 0.000909 O\n0.000177 0.750265 0.500901 F\n0.000178 0.250263 0.500900 F\n0.703422 0.426059 0.122734 F\n0.703421 0.926058 0.122733 F\n0.296905 0.574448 0.879079 F\n0.296907 0.074450 0.879080 F\n0.628758 0.407405 0.678724 F\n0.628758 0.907406 0.678725 F\n0.371592 0.593104 0.323105 F\n0.371592 0.093104 0.323104 F\n",
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{
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"structure_string": "Li3 Co8 O4 F12\n1.0\n5.665763 0.027331 1.847424\n2.611400 5.028142 1.847424\n0.005770 0.003524 10.319021\nLi Co O F\n3 8 4 12\ndirect\n0.994694 0.994694 0.001649 Li\n0.828396 0.828394 0.554734 Li\n0.181885 0.181884 0.448640 Li\n0.022564 0.466093 0.006191 Co\n0.466093 0.022564 0.006191 Co\n0.274934 0.739657 0.739935 Co\n0.256140 0.256139 0.728394 Co\n0.739658 0.274933 0.739935 Co\n0.275334 0.745873 0.241411 Co\n0.745873 0.275334 0.241411 Co\n0.731329 0.731328 0.266597 Co\n0.647393 0.647393 0.121326 O\n0.111539 0.111539 0.130118 O\n0.368604 0.368602 0.859908 O\n0.111941 0.111940 0.653206 O\n0.106667 0.640040 0.128433 F\n0.354256 0.889623 0.879457 F\n0.889624 0.354255 0.879457 F\n0.875235 0.875233 0.890109 F\n0.132103 0.631180 0.626790 F\n0.638663 0.638661 0.620577 F\n0.631181 0.132102 0.626790 F\n0.378564 0.378563 0.360422 F\n0.362951 0.869684 0.375459 F\n0.875985 0.875984 0.359222 F\n0.869685 0.362950 0.375459 F\n0.640040 0.106666 0.128433 F\n",
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{
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"structure_string": "Li8 Co4 O4 F12\n1.0\n5.872694 0.000076 0.000034\n-0.000091 5.872694 -0.000005\n-0.000029 -0.000040 8.062580\nLi Co O F\n8 4 4 12\ndirect\n0.245670 0.260008 0.375138 Li\n0.260010 0.754330 0.125138 Li\n0.739991 0.245671 0.625136 Li\n0.754328 0.739992 0.875138 Li\n0.266432 0.508140 0.754659 Li\n0.491861 0.266431 0.004658 Li\n0.508138 0.733569 0.504659 Li\n0.733567 0.491862 0.254658 Li\n0.242918 0.996773 0.754110 Co\n0.757080 0.003227 0.254111 Co\n0.003227 0.242917 0.004112 Co\n0.996772 0.757082 0.504111 Co\n0.981588 0.203690 0.225176 O\n0.796312 0.981585 0.475179 O\n0.203686 0.018413 0.975176 O\n0.018413 0.796311 0.725177 O\n0.002217 0.285669 0.761236 F\n0.285672 0.997785 0.511236 F\n0.714329 0.002217 0.011237 F\n0.997783 0.714330 0.261237 F\n0.252650 0.493946 0.995953 F\n0.493947 0.747351 0.745952 F\n0.506053 0.252649 0.245952 F\n0.747349 0.506052 0.495952 F\n0.236685 0.528226 0.508729 F\n0.471777 0.236688 0.758729 F\n0.528223 0.763314 0.258730 F\n0.763316 0.471776 0.008729 F\n",
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{
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"created_at": "2022-09-04T14:38:34.854671Z",
"updated_at": "2022-09-04T14:38:34.854698Z",
"structure_string": "Li2 Co6 O4 F12\n1.0\n4.465804 0.011705 0.024019\n0.016842 5.275528 -0.652425\n-0.062247 0.050289 9.890723\nLi Co O F\n2 6 4 12\ndirect\n-0.000020 0.000003 0.000004 Li\n0.499982 -0.000017 0.499993 Li\n0.499997 0.499994 -0.000001 Co\n0.000001 0.500010 0.500001 Co\n0.017898 0.270891 0.755244 Co\n0.982102 0.729110 0.244752 Co\n0.483019 0.273379 0.253659 Co\n0.516985 0.726624 0.746343 Co\n0.815041 0.518181 0.673012 O\n0.321228 0.474524 0.823836 O\n0.678780 0.525463 0.176161 O\n0.184979 0.481837 0.326989 O\n0.707236 0.019492 0.683577 F\n0.199842 0.721700 0.068706 F\n0.689439 0.288429 0.421957 F\n0.310576 0.711577 0.578043 F\n0.800152 0.278292 0.931289 F\n0.300019 0.237213 0.076085 F\n0.810019 0.778021 0.435695 F\n0.189998 0.221998 0.564303 F\n0.699972 0.762787 0.923920 F\n0.786969 0.029372 0.177759 F\n0.292750 0.980520 0.316423 F\n0.213012 0.970613 0.822241 F\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.696330891019278,
"density_atomic": 0.1029277863175753,
"volume": 233.17318732523745,
"volume_molar": 5.850840648043449,
"formula_full": "Li2 Co6 O4 F12",
"formula_reduced": "LiCo3(OF3)2",
"formula_anonymous": "AB2C3D6",
"energy_above_hull": 1.31275261625,
"spacegroup": 2
}
]
}