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{
"id": "jvasp-45184",
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"structure_string": "Li4 Cr6 O12\n1.0\n5.036489 -0.027511 -0.000000\n2.481688 4.312993 0.000000\n-0.000000 -0.000000 9.942040\nLi Cr O\n4 6 12\ndirect\n0.500000 0.147030 0.750000 Li\n0.500000 0.352970 0.250000 Li\n0.500001 0.647029 0.750000 Li\n0.500001 0.852970 0.250000 Li\n0.000000 0.000000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.323866 0.338068 0.000000 Cr\n0.323866 0.838067 0.500000 Cr\n0.676135 0.161932 0.500000 Cr\n0.676135 0.661932 0.000000 Cr\n0.660880 0.330247 0.893291 O\n0.660880 0.008873 0.106709 O\n0.339120 0.669752 0.106709 O\n0.339120 0.491127 0.606709 O\n0.339120 0.169753 0.393291 O\n0.000000 0.171684 0.601666 O\n0.339121 0.991127 0.893291 O\n0.000000 0.671684 0.898334 O\n0.000000 0.328315 0.101666 O\n0.660881 0.508872 0.393291 O\n0.000001 0.828315 0.398334 O\n0.660881 0.830247 0.606709 O\n",
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{
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"structure_string": "Mn4 Cr2 O12\n1.0\n4.983660 -0.001074 0.000000\n-2.505397 4.308115 -0.000000\n-0.000000 0.000000 9.058757\nMn Cr O\n4 2 12\ndirect\n0.166679 0.833319 0.500000 Mn\n0.333319 0.666680 0.000000 Mn\n0.666680 0.333320 0.000000 Mn\n0.833320 0.166681 0.500000 Mn\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.500285 0.165941 0.394291 O\n0.834531 0.834532 0.394173 O\n0.334059 -0.000285 0.894291 O\n0.665468 0.665468 0.894173 O\n0.334532 0.334532 0.105827 O\n0.165941 0.500284 0.394291 O\n0.499714 0.834058 0.605710 O\n0.834059 0.499715 0.605710 O\n-0.000285 0.334058 0.894291 O\n0.000284 0.665940 0.105709 O\n0.165468 0.165468 0.605827 O\n0.665942 0.000285 0.105709 O\n",
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{
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"created_at": "2022-09-04T14:38:06.451270Z",
"updated_at": "2022-09-04T14:38:06.451304Z",
"structure_string": "Li4 Ti2 Mn4 O12\n1.0\n5.089654 0.205443 0.000000\n-2.380117 4.503534 0.000000\n0.000000 0.000000 10.061222\nLi Ti Mn O\n4 2 4 12\ndirect\n0.095834 0.595834 0.750000 Li\n0.404164 0.904164 0.250000 Li\n0.595834 0.095835 0.750000 Li\n0.904164 0.404164 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.499999 0.499999 0.500000 Ti\n0.164700 0.835298 0.500000 Mn\n0.335298 0.664700 0.000000 Mn\n0.664700 0.335299 0.000000 Mn\n0.835298 0.164700 0.500000 Mn\n0.553781 0.207699 0.387142 O\n0.829245 0.829246 0.409301 O\n0.292299 0.946217 0.887142 O\n0.670752 0.670752 0.909301 O\n0.329246 0.329246 0.090699 O\n0.053781 0.707699 0.112858 O\n0.446217 0.792299 0.612858 O\n0.207699 0.553782 0.387142 O\n0.946217 0.292299 0.887142 O\n0.792299 0.446217 0.612858 O\n0.170753 0.170753 0.590699 O\n0.707699 0.053782 0.112858 O\n",
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"formula_full": "Li4 Ti2 Mn4 O12",
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{
"id": "jvasp-30455",
"created_at": "2022-09-04T14:38:07.291547Z",
"updated_at": "2022-09-04T14:38:07.291561Z",
"structure_string": "Co4 Sb2 O12\n1.0\n5.132038 -0.006038 -0.000000\n2.547782 4.427861 0.000000\n0.000000 -0.000000 8.889264\nCo Sb O\n4 2 12\ndirect\n0.333563 0.333218 0.000000 Co\n0.333563 0.833218 0.500000 Co\n0.666437 0.166782 0.500000 Co\n0.666437 0.666782 0.000000 Co\n0.000000 0.000000 0.000000 Sb\n-0.000000 0.500000 0.500000 Sb\n0.648685 0.351944 0.893417 O\n0.648685 0.999370 0.106582 O\n0.351315 0.648055 0.106582 O\n0.351315 0.500629 0.606582 O\n0.351315 0.148055 0.393418 O\n-0.000000 0.646936 0.891605 O\n0.351315 0.000630 0.893417 O\n0.648685 0.499370 0.393418 O\n-0.000000 0.353064 0.108395 O\n-0.000000 0.146936 0.608395 O\n-0.000000 0.853064 0.391605 O\n0.648685 0.851944 0.606582 O\n",
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{
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"created_at": "2022-09-04T14:38:07.375007Z",
"updated_at": "2022-09-04T14:38:07.375035Z",
"structure_string": "Rb4 Cu2 Cl8\n1.0\n6.929594 -0.000000 -0.000000\n0.000000 6.287457 -2.913019\n0.000000 0.206488 8.687614\nRb Cu Cl\n4 2 8\ndirect\n0.500000 0.141574 0.283149 Rb\n0.000000 0.358427 0.716851 Rb\n0.000000 0.641574 0.283149 Rb\n0.500000 0.858427 0.716851 Rb\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.500000 0.653625 0.307248 Cl\n0.000000 0.846376 0.692752 Cl\n0.500000 0.346376 0.692752 Cl\n0.000000 0.153625 0.307248 Cl\n0.761519 0.238482 0.000000 Cl\n0.261519 0.261519 0.000000 Cl\n0.238481 0.761519 0.000000 Cl\n0.738480 0.738482 0.000000 Cl\n",
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{
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"created_at": "2022-09-04T14:38:07.149167Z",
"updated_at": "2022-09-04T14:38:07.149195Z",
"structure_string": "Li4 Ti2 Cr4 O12\n1.0\n5.090984 0.003029 0.000000\n-2.555784 4.402964 -0.000000\n0.000000 0.000000 9.987324\nLi Ti Cr O\n4 2 4 12\ndirect\n0.147994 0.647993 0.750000 Li\n0.352006 0.852005 0.250000 Li\n0.647994 0.147994 0.750000 Li\n0.852005 0.352006 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.163623 0.836376 0.500000 Cr\n0.336377 0.663622 0.000000 Cr\n0.663622 0.336377 0.000000 Cr\n0.836377 0.163623 0.500000 Cr\n0.505946 0.165724 0.392588 O\n0.828949 0.828949 0.398959 O\n0.334276 0.994053 0.892588 O\n0.671051 0.671050 0.898959 O\n0.328949 0.328949 0.101041 O\n0.005946 0.665724 0.107412 O\n0.494054 0.834275 0.607412 O\n0.165724 0.505946 0.392588 O\n0.994053 0.334276 0.892588 O\n0.834275 0.494054 0.607412 O\n0.171051 0.171051 0.601041 O\n0.665724 0.005946 0.107412 O\n",
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{
"id": "jvasp-45901",
"created_at": "2022-09-04T14:38:07.287382Z",
"updated_at": "2022-09-04T14:38:07.287414Z",
"structure_string": "Li4 Co4 Sn2 O12\n1.0\n5.142150 -0.012633 -0.000000\n2.547113 4.426697 -0.000000\n-0.000000 -0.000000 9.829995\nLi Co Sn O\n4 4 2 12\ndirect\n0.500000 0.170643 0.750000 Li\n0.499999 0.329357 0.250000 Li\n0.499999 0.670644 0.750000 Li\n0.499999 0.829358 0.250000 Li\n0.328153 0.335923 0.000000 Co\n0.328152 0.835923 0.500000 Co\n0.671847 0.164078 0.500000 Co\n0.671846 0.664078 0.000000 Co\n0.000000 0.000000 0.000000 Sn\n-0.000000 0.500000 0.500000 Sn\n0.640650 0.354381 0.893955 O\n0.640650 0.004969 0.106045 O\n0.359349 0.645620 0.106045 O\n0.359349 0.495032 0.606046 O\n0.359349 0.145620 0.393955 O\n-0.000000 0.146283 0.602549 O\n0.359348 0.995034 0.893955 O\n-0.000001 0.646284 0.897452 O\n-0.000000 0.353717 0.102548 O\n0.640650 0.504968 0.393955 O\n-0.000001 0.853718 0.397452 O\n0.640650 0.854381 0.606046 O\n",
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{
"id": "jvasp-42991",
"created_at": "2022-09-04T14:38:10.146805Z",
"updated_at": "2022-09-04T14:38:10.146833Z",
"structure_string": "Li4 Mn4 Cu2 O12\n1.0\n5.069466 -0.054229 -0.000000\n-2.594473 4.355585 0.000000\n0.000000 0.000000 10.119260\nLi Mn Cu O\n4 4 2 12\ndirect\n0.177006 0.677006 0.750000 Li\n0.322996 0.822996 0.250000 Li\n0.677006 0.177005 0.750000 Li\n0.822996 0.322995 0.250000 Li\n0.163544 0.836458 0.500000 Mn\n0.336457 0.663544 0.000000 Mn\n0.663544 0.336456 0.000000 Mn\n0.836458 0.163543 0.500000 Mn\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500000 0.500000 Cu\n0.506229 0.131558 0.392711 O\n0.840101 0.840100 0.405131 O\n0.368444 0.993772 0.892711 O\n0.659902 0.659901 0.905131 O\n0.340100 0.340100 0.094869 O\n0.006229 0.631558 0.107289 O\n0.493773 0.868443 0.607289 O\n0.131558 0.506229 0.392711 O\n0.993773 0.368442 0.892711 O\n0.868443 0.493772 0.607289 O\n0.159901 0.159901 0.594869 O\n0.631558 0.006228 0.107289 O\n",
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{
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"created_at": "2022-09-04T14:38:10.278936Z",
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"structure_string": "Mn4 Ni2 O12\n1.0\n4.958963 -0.000682 -0.000000\n-2.492647 4.286960 -0.000000\n-0.000000 -0.000000 9.000084\nMn Ni O\n4 2 12\ndirect\n0.666527 0.333472 0.000000 Mn\n0.833473 0.166529 0.500000 Mn\n0.333472 0.666526 0.000000 Mn\n0.166529 0.833474 0.500000 Mn\n0.000000 0.000000 0.000000 Ni\n0.499999 0.499999 0.500000 Ni\n0.169692 0.500492 0.394167 O\n0.330724 0.330725 0.105603 O\n0.169276 0.169278 0.605603 O\n0.669692 0.000493 0.105833 O\n0.000492 0.669692 0.105833 O\n0.669277 0.669277 0.894395 O\n0.830723 0.830724 0.394397 O\n0.500491 0.169691 0.394167 O\n0.830308 0.499507 0.605832 O\n0.330308 -0.000492 0.894167 O\n-0.000493 0.330309 0.894167 O\n0.499506 0.830308 0.605832 O\n",
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{
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"created_at": "2022-09-04T14:38:10.409339Z",
"updated_at": "2022-09-04T14:38:10.409370Z",
"structure_string": "Li4 V4 Co2 O12\n1.0\n5.025161 -0.060065 0.000000\n-2.577254 4.314349 -0.000000\n0.000000 -0.000000 10.115940\nLi V Co O\n4 4 2 12\ndirect\n0.174093 0.674093 0.750000 Li\n0.325908 0.825908 0.250000 Li\n0.674093 0.174093 0.750000 Li\n0.825908 0.325908 0.250000 Li\n0.151827 0.848174 0.500000 V\n0.348174 0.651827 0.000000 V\n0.651827 0.348174 0.000000 V\n0.848174 0.151827 0.500000 V\n0.000000 0.000000 0.000000 Co\n0.500001 0.500001 0.500000 Co\n0.503635 0.139518 0.393189 O\n0.852635 0.852635 0.386757 O\n0.360483 -0.003635 0.893189 O\n0.647367 0.647367 0.886757 O\n0.352634 0.352634 0.113243 O\n0.003636 0.639518 0.106811 O\n0.496366 0.860483 0.606811 O\n0.139518 0.503635 0.393189 O\n-0.003635 0.360482 0.893189 O\n0.860483 0.496366 0.606811 O\n0.147366 0.147366 0.613243 O\n0.639518 0.003636 0.106811 O\n",
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{
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"created_at": "2022-09-04T14:38:10.556725Z",
"updated_at": "2022-09-04T14:38:10.556760Z",
"structure_string": "Li4 Ni4 Sb2 O12\n1.0\n5.184858 0.050727 -0.000000\n-2.561721 4.508094 -0.000000\n0.000000 0.000000 9.871310\nLi Ni Sb O\n4 4 2 12\ndirect\n0.136231 0.636230 0.750000 Li\n0.363769 0.863769 0.250000 Li\n0.636231 0.136231 0.750000 Li\n0.863770 0.363770 0.250000 Li\n0.164834 0.835165 0.500000 Ni\n0.335166 0.664834 0.000000 Ni\n0.664835 0.335166 0.000000 Ni\n0.835166 0.164835 0.500000 Ni\n0.000000 0.000000 0.000000 Sb\n0.500000 0.500000 0.500000 Sb\n0.525681 0.180666 0.389118 O\n0.834876 0.834875 0.400467 O\n0.319334 0.974318 0.889118 O\n0.665125 0.665124 0.900467 O\n0.334876 0.334876 0.099532 O\n0.025681 0.680665 0.110882 O\n0.474319 0.819334 0.610882 O\n0.180666 0.525681 0.389118 O\n0.974320 0.319335 0.889118 O\n0.819335 0.474319 0.610882 O\n0.165125 0.165124 0.599533 O\n0.680666 0.025681 0.110882 O\n",
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{
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"created_at": "2022-09-04T14:38:10.674527Z",
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"structure_string": "Li4 Mn6 O12\n1.0\n4.894418 0.025044 -0.000000\n2.456448 4.269128 -0.000000\n0.000000 0.000000 9.992312\nLi Mn O\n4 6 12\ndirect\n0.500000 0.157971 0.750000 Li\n0.500001 0.342028 0.250000 Li\n0.500001 0.657972 0.750000 Li\n0.500001 0.842028 0.250000 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.324937 0.337531 0.000000 Mn\n0.324937 0.837531 0.500000 Mn\n0.675064 0.162469 0.500000 Mn\n0.675065 0.662469 0.000000 Mn\n0.661408 0.335138 0.893079 O\n0.661408 0.003453 0.106921 O\n0.338593 0.664861 0.106921 O\n0.338593 0.496546 0.606921 O\n0.338593 0.164861 0.393080 O\n0.000000 0.168526 0.603493 O\n0.338593 -0.003454 0.893079 O\n0.000000 0.668526 0.896507 O\n0.000000 0.331474 0.103492 O\n0.661408 0.503453 0.393080 O\n0.000000 0.831474 0.396507 O\n0.661408 0.835138 0.606921 O\n",
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"formula_reduced": "Li2Mn3O6",
"formula_anonymous": "A2B3C6",
"energy_above_hull": 2.966077520376175,
"spacegroup": 64
}
]
}