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"formula_reduced": "Er2S3",
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},
{
"id": "jvasp-99038",
"created_at": "2022-09-04T14:36:35.165674Z",
"updated_at": "2022-09-04T14:36:35.165701Z",
"structure_string": "Th2 Zr4 F24\n1.0\n6.983886 -0.000286 3.743839\n3.635526 7.255440 1.468997\n0.001647 0.000025 8.247207\nTh Zr F\n2 4 24\ndirect\n0.000000 0.777940 0.222060 Th\n0.000000 0.222060 0.777940 Th\n0.430248 0.188387 0.188387 Zr\n0.569753 0.811613 0.811613 Zr\n0.774129 0.350893 0.350893 Zr\n0.225872 0.649107 0.649107 Zr\n0.663740 0.938757 0.218840 F\n0.336262 0.781160 0.061243 F\n0.336261 0.061243 0.781160 F\n0.663740 0.218840 0.938757 F\n0.888639 0.357586 0.066417 F\n0.111362 0.933584 0.642414 F\n0.111362 0.642414 0.933584 F\n0.888639 0.066416 0.357586 F\n0.426557 0.713140 0.713140 F\n0.866053 0.559871 0.307991 F\n0.719232 0.832533 0.534638 F\n0.719232 0.534638 0.832533 F\n0.280769 0.167467 0.465362 F\n0.500001 0.387330 0.612671 F\n0.500001 0.612671 0.387329 F\n0.500000 -0.000000 -0.000000 F\n0.000000 0.000000 0.000000 F\n0.139622 0.221682 0.221682 F\n0.860379 0.778318 0.778318 F\n0.866053 0.307991 0.559871 F\n0.133949 0.440129 0.692009 F\n0.133949 0.692009 0.440129 F\n0.280770 0.465362 0.167467 F\n0.573445 0.286860 0.286860 F\n",
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"nelements": 3,
"elements": [
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],
"chemical_system": "F-Th-Zr",
"density": 5.106220382438622,
"density_atomic": 0.07179446438836114,
"volume": 417.85951403884854,
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"formula_full": "Th2 Zr4 F24",
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{
"id": "jvasp-95607",
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"updated_at": "2022-09-04T14:36:30.516867Z",
"structure_string": "Sr4 Mg6 H20\n1.0\n8.187235 2.846419 -3.189686\n-8.187235 2.846419 3.189686\n-0.002008 0.000000 7.424436\nSr Mg H\n4 6 20\ndirect\n0.719947 0.280053 0.315103 Sr\n0.280053 0.719947 0.684897 Sr\n0.615817 0.384183 0.720745 Sr\n0.384183 0.615817 0.279256 Sr\n0.257495 0.257495 -0.000000 Mg\n0.175158 0.824842 0.020568 Mg\n0.742506 0.742506 0.000000 Mg\n0.075217 0.924784 0.448279 Mg\n0.924784 0.075217 0.551722 Mg\n0.824842 0.175158 0.979433 Mg\n0.864724 0.135276 0.256820 H\n0.768408 0.768408 0.500000 H\n0.231592 0.231592 0.500000 H\n0.515228 0.484773 0.189626 H\n0.484772 0.515228 0.810374 H\n0.238213 0.761788 0.289431 H\n0.761787 0.238213 0.710570 H\n0.135276 0.864724 0.743180 H\n0.020582 0.979418 0.178051 H\n0.091171 0.397630 0.518379 H\n0.397630 0.091172 0.481621 H\n0.908829 0.602370 0.481621 H\n0.602370 0.908829 0.518379 H\n0.000000 0.500000 0.000000 H\n0.384723 0.157476 0.029282 H\n0.842524 0.615277 0.029282 H\n0.615277 0.842525 0.970718 H\n0.157476 0.384723 0.970718 H\n0.979418 0.020583 0.821949 H\n0.500000 0.000000 -0.000000 H\n",
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"elements": [
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],
"chemical_system": "H-Mg-Sr",
"density": 2.4786168752425604,
"density_atomic": 0.08670366758638876,
"volume": 346.00612448266924,
"volume_molar": 6.945658618189055,
"formula_full": "Sr4 Mg6 H20",
"formula_reduced": "Sr2Mg3H10",
"formula_anonymous": "A2B3C10",
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}
]
}