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{
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"structure_string": "Li16 Cr16 S24 O96\n1.0\n8.844395 0.000000 0.000000\n0.000000 8.871099 0.000000\n0.000000 0.000000 24.605481\nLi Cr S O\n16 16 24 96\ndirect\n0.038407 0.622244 0.290784 Li\n0.038407 0.877756 0.790784 Li\n0.142149 0.931850 0.009358 Li\n0.142149 0.568150 0.509358 Li\n0.357851 0.068150 0.509358 Li\n0.357851 0.431850 0.009358 Li\n0.461593 0.122244 0.290784 Li\n0.461593 0.377756 0.790784 Li\n0.538407 0.622244 0.209216 Li\n0.538407 0.877756 0.709216 Li\n0.642149 0.568150 0.990642 Li\n0.642149 0.931850 0.490642 Li\n0.857851 0.431850 0.490642 Li\n0.857851 0.068150 0.990642 Li\n0.961593 0.122244 0.209216 Li\n0.961593 0.377756 0.709216 Li\n0.006824 0.403015 0.065946 Cr\n0.006824 0.096985 0.565946 Cr\n0.997264 0.794663 0.180331 Cr\n0.997264 0.705337 0.680331 Cr\n0.502736 0.294663 0.180331 Cr\n0.502736 0.205337 0.680331 Cr\n0.493176 0.596985 0.565946 Cr\n0.493176 0.903015 0.065946 Cr\n0.506824 0.403015 0.434054 Cr\n0.506824 0.096985 0.934054 Cr\n0.497264 0.705337 0.819669 Cr\n0.497264 0.794663 0.319669 Cr\n0.002736 0.294663 0.319669 Cr\n0.002736 0.205337 0.819669 Cr\n0.993176 0.903015 0.434054 Cr\n0.993176 0.596985 0.934054 Cr\n0.144127 0.945752 0.296058 S\n0.144127 0.554248 0.796058 S\n0.146204 0.251397 0.445112 S\n0.146204 0.248603 0.945112 S\n0.192631 0.097427 0.115256 S\n0.192631 0.402573 0.615256 S\n0.307369 0.597427 0.115256 S\n0.307369 0.902573 0.615256 S\n0.353796 0.751397 0.445112 S\n0.353796 0.748603 0.945112 S\n0.355873 0.445752 0.296058 S\n0.355873 0.054248 0.796058 S\n0.644127 0.554248 0.703942 S\n0.644127 0.945752 0.203942 S\n0.646204 0.251397 0.054888 S\n0.646204 0.248603 0.554888 S\n0.692631 0.097427 0.384744 S\n0.692631 0.402573 0.884744 S\n0.807369 0.597427 0.384744 S\n0.807369 0.902573 0.884744 S\n0.853796 0.751397 0.054888 S\n0.853796 0.748603 0.554888 S\n0.855873 0.445752 0.203942 S\n0.855873 0.054248 0.703942 S\n0.063060 0.383761 0.465878 O\n0.063060 0.116239 0.965878 O\n0.080019 0.090324 0.275864 O\n0.080019 0.409676 0.775864 O\n0.082244 0.106806 0.469508 O\n0.082244 0.393194 0.969508 O\n0.089030 0.909434 0.350666 O\n0.089030 0.590566 0.850666 O\n0.094392 0.195511 0.081608 O\n0.094392 0.304489 0.581608 O\n0.094972 0.820446 0.258306 O\n0.094972 0.679554 0.758306 O\n0.094587 0.016740 0.154995 O\n0.094587 0.483260 0.654995 O\n0.136647 0.240172 0.385535 O\n0.136647 0.259828 0.885535 O\n0.188075 0.456521 0.294840 O\n0.188075 0.043479 0.794840 O\n0.190026 0.682027 0.143945 O\n0.190026 0.817973 0.643945 O\n0.192813 0.759621 0.463178 O\n0.192813 0.740379 0.963178 O\n0.236367 0.013829 0.576455 O\n0.236367 0.486171 0.076455 O\n0.263633 0.513829 0.576455 O\n0.263633 0.986171 0.076455 O\n0.307187 0.240379 0.963178 O\n0.307187 0.259621 0.463178 O\n0.309974 0.182027 0.143945 O\n0.309974 0.317973 0.643945 O\n0.311925 0.956521 0.294840 O\n0.311925 0.543479 0.794840 O\n0.363353 0.740172 0.385535 O\n0.363353 0.759828 0.885535 O\n0.405413 0.983260 0.654995 O\n0.405413 0.516740 0.154995 O\n0.405028 0.320446 0.258306 O\n0.405028 0.179554 0.758306 O\n0.405608 0.695511 0.081608 O\n0.405608 0.804489 0.581608 O\n0.410970 0.090566 0.850666 O\n0.410970 0.409434 0.350666 O\n0.417756 0.893194 0.969508 O\n0.417756 0.606806 0.469508 O\n0.419981 0.590324 0.275864 O\n0.419981 0.909676 0.775864 O\n0.436940 0.616239 0.965878 O\n0.436940 0.883761 0.465878 O\n0.563060 0.383761 0.034122 O\n0.563060 0.116239 0.534122 O\n0.580019 0.090324 0.224136 O\n0.580019 0.409676 0.724136 O\n0.582244 0.106806 0.030492 O\n0.582244 0.393194 0.530492 O\n0.589030 0.590566 0.649334 O\n0.589030 0.909434 0.149334 O\n0.594392 0.195511 0.418392 O\n0.594392 0.304489 0.918392 O\n0.594972 0.820446 0.241694 O\n0.594972 0.679554 0.741694 O\n0.594587 0.016740 0.345005 O\n0.594587 0.483260 0.845005 O\n0.636647 0.240172 0.114465 O\n0.636647 0.259828 0.614465 O\n0.688075 0.456521 0.205160 O\n0.688075 0.043479 0.705160 O\n0.690026 0.682027 0.356055 O\n0.690026 0.817973 0.856055 O\n0.692813 0.759621 0.036822 O\n0.692813 0.740379 0.536822 O\n0.736367 0.486171 0.423545 O\n0.736367 0.013829 0.923545 O\n0.763633 0.986171 0.423545 O\n0.763633 0.513829 0.923545 O\n0.807187 0.259621 0.036822 O\n0.807187 0.240379 0.536822 O\n0.809974 0.182027 0.356055 O\n0.809974 0.317973 0.856055 O\n0.811925 0.543479 0.705160 O\n0.811925 0.956521 0.205160 O\n0.863353 0.740172 0.114465 O\n0.863353 0.759828 0.614465 O\n0.905413 0.516740 0.345005 O\n0.905413 0.983260 0.845005 O\n0.905028 0.320446 0.241694 O\n0.905028 0.179554 0.741694 O\n0.905608 0.695511 0.418392 O\n0.905608 0.804489 0.918392 O\n0.910970 0.409434 0.149334 O\n0.910970 0.090566 0.649334 O\n0.917756 0.606806 0.030492 O\n0.917756 0.893194 0.530492 O\n0.919981 0.590324 0.224136 O\n0.919981 0.909676 0.724136 O\n0.936940 0.616239 0.534122 O\n0.936940 0.883761 0.034122 O\n",
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"elements": [
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"formula_full": "Li16 Cr16 S24 O96",
"formula_reduced": "Li2Cr2(SO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -1074.63410499,
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"updated_at": "2021-11-28T01:35:37.733000Z",
"spacegroup": 61
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{
"id": "mp-648263",
"created_at": "2022-09-04T14:41:33.899086Z",
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{
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"formula_full": "Sr28 Ca4 Mn8 Fe24 O80",
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},
{
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H\n0.481555 0.575045 0.867020 H\n0.481555 0.924955 0.367020 H\n0.518445 0.424955 0.132980 H\n0.425060 0.397584 0.625757 H\n0.574940 0.897584 0.874243 H\n0.574940 0.602416 0.374242 H\n0.425060 0.102416 0.125757 H\n0.264582 0.396321 0.629441 H\n0.735418 0.896321 0.870559 H\n0.735418 0.603679 0.370559 H\n0.264582 0.103679 0.129441 H\n0.071267 0.060922 0.587311 O\n0.928733 0.560922 0.912689 O\n0.928733 0.939078 0.412689 O\n0.071267 0.439078 0.087311 O\n0.671385 0.809692 0.503884 O\n0.328615 0.309692 0.996116 O\n0.328615 0.190308 0.496116 O\n0.671385 0.690308 0.003884 O\n0.974610 0.703238 0.506734 O\n0.025390 0.203238 0.993266 O\n0.025390 0.296762 0.493266 O\n0.974610 0.796762 0.006734 O\n0.331536 0.744781 0.469640 O\n0.668464 0.244781 0.030360 O\n0.668464 0.255219 0.530360 O\n0.331536 0.755219 0.969640 O\n0.397940 0.882248 0.834912 O\n0.602060 0.382248 0.665088 O\n0.602060 0.117752 0.165088 O\n0.397940 0.617752 0.334912 O\n0.910547 0.878852 0.834662 O\n0.089453 0.378852 0.665338 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"nelements": 4,
"elements": [
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"H",
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],
"chemical_system": "H-Na-O-Si",
"density": 1.9307914303278018,
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"volume": 1810.9918652395243,
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"formula_full": "Na16 Si16 H72 O76",
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"updated_at": "2021-11-28T01:37:39.785000Z",
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},
{
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},
{
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{
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0.250000 B\n0.987018 0.750000 0.237018 B\n0.512982 0.250000 0.262982 B\n0.750000 0.237018 0.987018 B\n0.250000 0.262982 0.512982 B\n0.237018 0.987018 0.750000 B\n0.262982 0.512982 0.250000 B\n0.012982 0.250000 0.762982 B\n0.487018 0.750000 0.737018 B\n0.250000 0.762982 0.012982 B\n0.750000 0.737018 0.487018 B\n0.762982 0.012982 0.250000 B\n0.737018 0.487018 0.750000 B\n0.012022 0.006011 0.256011 B\n0.487978 0.243989 0.493989 B\n0.750000 0.493989 0.006011 B\n0.750000 0.256011 0.243989 B\n0.256011 0.012022 0.006011 B\n0.493989 0.487978 0.243989 B\n0.006011 0.750000 0.493989 B\n0.243989 0.750000 0.256011 B\n0.006011 0.256011 0.012022 B\n0.243989 0.493989 0.487978 B\n0.493989 0.006011 0.750000 B\n0.256011 0.243989 0.750000 B\n0.987978 0.993989 0.743989 B\n0.512022 0.756011 0.506011 B\n0.250000 0.506011 0.993989 B\n0.250000 0.743989 0.756011 B\n0.743989 0.987978 0.993989 B\n0.506011 0.512022 0.756011 B\n0.993989 0.250000 0.506011 B\n0.756011 0.250000 0.743989 B\n0.993989 0.743989 0.987978 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},
{
"id": "mp-685809",
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"formula_full": "Li15 Ti36 O72",
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}
]
}