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{
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{
"id": "jvasp-44722",
"created_at": "2022-09-04T14:38:10.277432Z",
"updated_at": "2022-09-04T14:38:10.277455Z",
"structure_string": "Li3 Cr3 Si1 O8\n1.0\n0.000000 4.945246 0.010992\n5.765481 0.000000 0.000000\n0.000000 -1.583690 -4.804501\nLi Cr Si O\n3 3 1 8\ndirect\n0.000000 0.500000 0.000000 Li\n0.500000 0.764035 0.000000 Li\n0.500000 0.235965 0.000000 Li\n-0.000000 0.751861 0.500000 Cr\n-0.000000 0.248139 0.500000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500000 0.000000 0.500000 Si\n0.732825 0.000000 0.294713 O\n0.719215 0.765686 0.711396 O\n0.765704 0.500000 0.270768 O\n0.280786 0.765686 0.288604 O\n0.719215 0.234314 0.711396 O\n0.267176 0.000000 0.705287 O\n0.234297 0.500000 0.729233 O\n0.280786 0.234314 0.288604 O\n",
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{
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"structure_string": "Li14 Ni2 O8 F4\n1.0\n5.161663 -0.026955 0.859308\n-3.056925 5.016728 0.912958\n-0.106765 0.420393 10.000787\nLi Ni O F\n14 2 8 4\ndirect\n0.130647 0.087074 0.206434 Li\n0.875392 0.883145 0.732614 Li\n0.979377 0.547482 0.285422 Li\n0.549158 0.044365 0.614960 Li\n0.486959 0.478970 0.925790 Li\n0.676848 0.701000 0.420002 Li\n0.709048 0.200840 0.085136 Li\n0.634840 0.147963 0.847423 Li\n0.212610 0.705122 0.982087 Li\n0.197865 0.192687 0.444365 Li\n0.596840 0.672763 0.141598 Li\n0.512574 0.017477 0.388543 Li\n0.112598 0.602053 0.752695 Li\n0.384826 0.381948 0.644536 Li\n0.064948 0.052170 0.925747 Ni\n0.021711 0.536074 0.512869 Ni\n0.965368 0.213574 0.614588 O\n0.660372 0.834856 0.933300 O\n0.633947 0.347979 0.466191 O\n0.058888 0.355986 0.925524 O\n0.232993 0.935323 0.799565 O\n0.351135 0.114512 0.023690 O\n0.103239 0.855932 0.386169 O\n0.390806 0.720503 0.559368 O\n0.702375 -0.062475 0.237781 F\n0.221467 0.397469 0.260914 F\n0.831531 0.520146 0.134862 F\n0.701637 0.515072 0.747837 F\n",
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"volume": 255.52043784350238,
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"formula_full": "Li14 Ni2 O8 F4",
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{
"id": "jvasp-103899",
"created_at": "2022-09-04T14:36:57.743264Z",
"updated_at": "2022-09-04T14:36:57.743289Z",
"structure_string": "Al1 H16 C10 Cl1 O4\n1.0\n4.948689 0.016146 0.309410\n0.754949 6.650198 2.483113\n0.003477 -0.080972 8.847301\nAl H C Cl O\n1 16 10 1 4\ndirect\n0.965412 0.710590 0.907961 Al\n0.300684 0.217264 0.418245 H\n0.465010 0.520317 0.443348 H\n0.552985 0.387679 0.644786 H\n0.030034 0.300492 0.665980 H\n-0.011260 0.524536 0.501607 H\n0.631186 0.821641 0.247080 H\n0.362576 0.973116 0.303230 H\n0.364662 0.081697 0.622045 H\n0.664090 0.816119 0.530679 H\n0.811343 0.247081 0.374180 H\n0.859930 0.095856 0.576091 H\n0.317193 0.122407 0.987747 H\n0.561013 0.291509 0.884269 H\n0.563895 0.281758 0.154533 H\n0.870580 0.146250 0.119212 H\n0.957414 0.886537 0.408513 H\n0.532849 0.146017 0.974927 C\n0.649018 0.142079 0.134574 C\n0.727189 0.127015 0.473203 C\n0.741951 0.936045 0.428357 C\n0.583595 0.959816 0.277870 C\n0.411333 0.397542 0.551286 C\n0.438555 0.199283 0.516233 C\n0.066475 0.553811 0.721795 C\n0.691327 0.984905 0.924725 C\n0.117021 0.441670 0.606367 C\n0.111873 0.550115 0.144742 Cl\n0.205521 0.690310 0.732151 O\n0.948761 -0.012202 0.884981 O\n0.597086 0.822314 0.931425 O\n0.865713 0.517161 0.824244 O\n",
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{
"id": "jvasp-107087",
"created_at": "2022-09-04T14:38:47.027027Z",
"updated_at": "2022-09-04T14:38:47.027057Z",
"structure_string": "V4 O4\n1.0\n3.226250 -0.138755 0.000014\n-0.603179 8.226356 0.000047\n-0.000012 -0.000017 2.759523\nV O\n4 4\ndirect\n0.926005 0.479908 -0.000001 V\n0.573996 0.770093 0.499999 V\n0.925999 0.979910 -0.000001 V\n0.574003 0.270093 0.500000 V\n0.037494 0.741315 0.000000 O\n0.462500 0.008685 0.499998 O\n0.037498 0.241315 0.000001 O\n0.462506 0.508685 0.500000 O\n",
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},
{
"id": "jvasp-118615",
"created_at": "2022-09-04T14:38:49.899079Z",
"updated_at": "2022-09-04T14:38:49.899099Z",
"structure_string": "Li1 O1\n1.0\n3.216557 -0.000000 -0.000000\n-1.608278 2.785620 0.000000\n-0.000000 -0.000000 2.037252\nLi O\n1 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.333332 0.666667 0.000000 O\n",
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"elements": [
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"density_atomic": 0.10956506963256364,
"volume": 18.253992871151187,
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"formula_full": "Li1 O1",
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"spacegroup": 187
},
{
"id": "jvasp-56088",
"created_at": "2022-09-04T14:37:27.995971Z",
"updated_at": "2022-09-04T14:37:27.995992Z",
"structure_string": "Mg8 H16\n1.0\n4.792072 -0.000000 0.000000\n0.000000 4.876557 0.000000\n0.000000 0.000000 9.374959\nMg H\n8 16\ndirect\n0.278710 0.027864 0.117974 Mg\n0.221290 0.527864 0.882027 Mg\n0.721290 0.472137 0.617974 Mg\n0.778709 0.472137 0.117974 Mg\n0.778709 0.972137 0.382026 Mg\n0.278710 0.527864 0.382026 Mg\n0.221290 0.027864 0.617974 Mg\n0.721290 0.972137 0.882027 Mg\n0.158780 0.874119 0.294943 H\n0.658780 0.125882 0.205057 H\n0.477732 0.756657 0.526359 H\n0.522267 0.743344 0.026359 H\n0.841219 0.125882 0.705057 H\n0.841219 0.625882 0.794943 H\n0.977732 0.243343 0.973641 H\n0.977732 0.743344 0.526359 H\n0.341219 0.874119 0.794943 H\n0.341219 0.374118 0.705057 H\n0.158780 0.374118 0.205057 H\n0.022268 0.756657 0.026359 H\n0.022268 0.256657 0.473641 H\n0.522267 0.243343 0.473641 H\n0.477732 0.256657 0.973641 H\n0.658780 0.625882 0.294943 H\n",
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{
"id": "jvasp-114825",
"created_at": "2022-09-04T14:38:42.947048Z",
"updated_at": "2022-09-04T14:38:42.947081Z",
"structure_string": "Cr1 H1 F4\n1.0\n3.034881 -0.060769 0.511001\n-0.040786 4.000398 0.196565\n0.914870 0.664453 4.701742\nCr H F\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.499999 H\n0.381867 0.113217 0.220697 F\n0.828461 0.581338 0.287926 F\n0.618133 -0.113219 0.779303 F\n0.171538 0.418662 0.712072 F\n",
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{
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"created_at": "2022-09-04T14:35:53.394210Z",
"updated_at": "2022-09-04T14:35:53.394248Z",
"structure_string": "V2 B2\n1.0\n2.969374 -0.000000 -0.000000\n0.000000 2.856215 -1.083753\n-0.000000 0.000127 4.305964\nV B\n2 2\ndirect\n0.250000 0.851796 0.703592 V\n0.749999 0.148203 0.296407 V\n0.250000 0.561587 0.123176 B\n0.749999 0.438412 0.876823 B\n",
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{
"id": "jvasp-103912",
"created_at": "2022-09-04T14:36:57.409405Z",
"updated_at": "2022-09-04T14:36:57.409427Z",
"structure_string": "Zn1 H6 C5 O4\n1.0\n4.280764 -0.123613 1.291945\n1.916527 4.427707 0.703533\n0.275042 -0.286408 7.687239\nZn H C O\n1 6 5 4\ndirect\n0.273351 0.056650 0.268616 Zn\n0.350215 0.627632 0.664533 H\n0.088348 0.616856 0.537173 H\n0.227301 0.182075 0.852054 H\n0.889983 0.701619 0.971430 H\n0.946439 0.217116 0.725901 H\n0.629500 0.764225 0.832172 H\n0.562049 0.257211 0.483031 C\n0.260247 0.479514 0.617199 C\n0.058506 0.340765 0.777717 C\n0.780291 0.587969 0.908974 C\n0.529099 0.492666 0.062053 C\n0.830601 0.318438 0.419192 O\n0.544211 0.022401 0.437427 O\n0.531320 0.231762 0.054126 O\n0.315453 0.671214 0.193691 O\n",
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{
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"structure_string": "Li4 Cu1 F5\n1.0\n4.005829 0.000000 0.000000\n2.002914 4.774278 0.000000\n-2.002914 -0.000000 4.774278\nLi Cu F\n4 1 5\ndirect\n0.188375 0.421458 0.798204 Li\n0.609832 0.201797 0.421458 Li\n0.390168 0.798204 0.578543 Li\n0.811626 0.578543 0.201797 Li\n0.000000 0.000000 0.000000 Cu\n0.121501 0.205116 0.448119 F\n0.500000 0.000000 0.000000 F\n0.326618 0.551881 0.205116 F\n0.673383 0.448119 0.794884 F\n0.878499 0.794884 0.551881 F\n",
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{
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"structure_string": "Fe2 O3 F1\n1.0\n4.379777 -0.132719 0.000000\n-0.132719 4.379777 0.000000\n0.000000 0.000000 2.859673\nFe O F\n2 3 1\ndirect\n0.023366 0.976634 0.000000 Fe\n0.479155 0.520845 0.499999 Fe\n0.198633 0.801368 0.499999 O\n0.300635 0.305294 0.000000 O\n0.694707 0.699366 0.000000 O\n0.803506 0.196494 0.499999 F\n",
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{
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"created_at": "2022-09-04T14:38:06.788939Z",
"updated_at": "2022-09-04T14:38:06.788956Z",
"structure_string": "Fe6 O10 F2\n1.0\n-4.457795 4.457795 2.860022\n-0.085982 4.377508 -2.865395\n-4.377508 0.085982 -2.865395\nFe O F\n6 10 2\ndirect\n0.848514 0.675166 0.675166 Fe\n0.664003 0.326605 0.326605 Fe\n0.321122 0.654714 0.654714 Fe\n0.161802 0.331325 0.331325 Fe\n0.509714 0.005980 0.005980 Fe\n0.990670 0.003870 0.003870 Fe\n-0.000896 0.699141 0.305852 O\n-0.000896 0.305852 0.699141 O\n0.669235 0.640112 0.030244 O\n0.332954 0.966165 0.362327 O\n0.702410 0.102877 0.102877 O\n0.960416 0.232318 0.232318 O\n0.038085 0.770382 0.770382 O\n0.332954 0.362327 0.966165 O\n0.669235 0.030244 0.640112 O\n0.367961 0.429292 0.429292 O\n0.300844 0.897333 0.897333 F\n0.631856 0.566306 0.566306 F\n",
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}
]
}