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{
"id": "mp-1096868",
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"structure_string": "Ba28 Sn12 S52\n1.0\n9.036064 0.000000 0.000000\n0.000000 12.470457 0.000000\n0.000000 0.000000 24.414728\nBa Sn S\n28 12 52\ndirect\n0.118257 0.688054 0.532908 Ba\n0.381743 0.188054 0.967092 Ba\n0.881743 0.311946 0.032908 Ba\n0.618257 0.811946 0.467092 Ba\n0.881743 0.311946 0.467092 Ba\n0.618257 0.811946 0.032908 Ba\n0.118257 0.688054 0.967092 Ba\n0.381743 0.188054 0.532908 Ba\n0.603103 0.842773 0.655029 Ba\n0.896897 0.342773 0.844971 Ba\n0.396897 0.157227 0.155029 Ba\n0.103103 0.657227 0.344971 Ba\n0.396897 0.157227 0.344971 Ba\n0.103103 0.657227 0.155029 Ba\n0.603103 0.842773 0.844971 Ba\n0.896897 0.342773 0.655029 Ba\n0.895925 0.644344 0.750000 Ba\n0.604075 0.144344 0.750000 Ba\n0.104075 0.355656 0.250000 Ba\n0.395925 0.855656 0.250000 Ba\n0.409782 0.477777 0.658088 Ba\n0.090218 0.977777 0.841912 Ba\n0.590218 0.522223 0.158088 Ba\n0.909782 0.022223 0.341912 Ba\n0.590218 0.522223 0.341912 Ba\n0.909782 0.022223 0.158088 Ba\n0.409782 0.477777 0.841912 Ba\n0.090218 0.977777 0.658088 Ba\n0.305718 0.757326 0.750000 Sn\n0.194282 0.257326 0.750000 Sn\n0.694282 0.242674 0.250000 Sn\n0.805718 0.742674 0.250000 Sn\n0.699252 0.548585 0.551656 Sn\n0.800748 0.048585 0.948344 Sn\n0.300748 0.451415 0.051656 Sn\n0.199252 0.951415 0.448344 Sn\n0.300748 0.451415 0.448344 Sn\n0.199252 0.951415 0.051656 Sn\n0.699252 0.548585 0.948344 Sn\n0.800748 0.048585 0.551656 Sn\n0.141362 0.448981 0.750000 S\n0.358638 0.948981 0.750000 S\n0.858638 0.551019 0.250000 S\n0.641362 0.051019 0.250000 S\n0.359409 0.637221 0.428381 S\n0.140591 0.137221 0.071619 S\n0.640591 0.362779 0.928381 S\n0.859409 0.862779 0.571619 S\n0.640591 0.362779 0.571619 S\n0.859409 0.862779 0.928381 S\n0.359409 0.637221 0.071619 S\n0.140591 0.137221 0.428381 S\n0.490761 0.663144 0.570762 S\n0.009239 0.163144 0.929238 S\n0.509239 0.336856 0.070762 S\n0.990761 0.836856 0.429238 S\n0.509239 0.336856 0.429238 S\n0.990761 0.836856 0.070762 S\n0.490761 0.663144 0.929238 S\n0.009239 0.163144 0.570762 S\n0.530830 0.652513 0.750000 S\n0.969170 0.152513 0.750000 S\n0.469170 0.347487 0.250000 S\n0.030830 0.847487 0.250000 S\n0.173217 0.720108 0.668528 S\n0.326783 0.220108 0.831472 S\n0.826783 0.279892 0.168528 S\n0.673217 0.779892 0.331472 S\n0.826783 0.279892 0.331472 S\n0.673217 0.779892 0.168528 S\n0.173217 0.720108 0.831472 S\n0.326783 0.220108 0.668528 S\n0.883140 0.589269 0.620438 S\n0.616860 0.089269 0.879562 S\n0.116860 0.410731 0.120438 S\n0.383140 0.910731 0.379562 S\n0.116860 0.410731 0.379562 S\n0.383140 0.910731 0.120438 S\n0.883140 0.589269 0.879562 S\n0.616860 0.089269 0.620438 S\n0.809814 0.577644 0.462965 S\n0.690186 0.077644 0.037035 S\n0.190186 0.422356 0.962965 S\n0.309814 0.922356 0.537035 S\n0.190186 0.422356 0.537035 S\n0.309814 0.922356 0.962965 S\n0.809814 0.577644 0.037035 S\n0.690186 0.077644 0.462965 S\n0.672523 0.394280 0.750000 S\n0.827477 0.894280 0.750000 S\n0.327477 0.605720 0.250000 S\n0.172523 0.105720 0.250000 S\n",
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"volume_molar": 18.00846237085581,
"formula_full": "Ba28 Sn12 S52",
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"energy": -478.4187814,
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"updated_at": "2021-11-28T01:39:31.563000Z",
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},
{
"id": "mp-560928",
"created_at": "2022-09-04T14:42:20.202863Z",
"structure_string": "Sb16 I8 Br16 F88\n1.0\n12.868021 0.000000 0.000000\n0.000000 14.466867 0.000000\n0.000000 0.000000 14.774069\nSb I Br F\n16 8 16 88\ndirect\n0.712007 0.084764 0.164960 Sb\n0.174806 0.085450 0.551220 Sb\n0.212007 0.915236 0.335040 Sb\n0.325194 0.085450 0.051220 Sb\n0.674806 0.414550 0.551220 Sb\n0.712007 0.584764 0.335040 Sb\n0.174806 0.585450 0.948780 Sb\n0.787993 0.084764 0.664960 Sb\n0.674806 0.914550 0.948780 Sb\n0.287993 0.915236 0.835040 Sb\n0.825194 0.914550 0.448780 Sb\n0.287993 0.415236 0.664960 Sb\n0.212007 0.415236 0.164960 Sb\n0.825194 0.414550 0.051220 Sb\n0.325194 0.585450 0.448780 Sb\n0.787993 0.584764 0.835040 Sb\n0.597901 0.761716 0.639260 I\n0.402099 0.238284 0.360740 I\n0.597901 0.261716 0.860740 I\n0.402099 0.738284 0.139260 I\n0.097901 0.738284 0.639260 I\n0.902099 0.261716 0.360740 I\n0.902099 0.761716 0.139260 I\n0.097901 0.238284 0.860740 I\n0.469160 0.179721 0.767002 Br\n0.530840 0.820279 0.232998 Br\n0.982422 0.640303 0.547197 Br\n0.530840 0.320279 0.267002 Br\n0.017578 0.859697 0.047197 Br\n0.030840 0.179721 0.267002 Br\n0.017578 0.359697 0.452803 Br\n0.517578 0.640303 0.047197 Br\n0.469160 0.679721 0.732998 Br\n0.969160 0.820279 0.732998 Br\n0.030840 0.679721 0.232998 Br\n0.482422 0.359697 0.952803 Br\n0.482422 0.859697 0.547197 Br\n0.517578 0.140303 0.452803 Br\n0.969160 0.320279 0.767002 Br\n0.982422 0.140303 0.952803 Br\n0.310921 0.038470 0.571307 F\n0.924349 0.574535 0.787256 F\n0.845644 0.587503 0.390778 F\n0.689079 0.961530 0.428693 F\n0.329684 0.311677 0.595181 F\n0.810921 0.961530 0.928693 F\n0.958128 0.875075 0.488441 F\n0.170316 0.311677 0.095181 F\n0.741880 0.657525 0.733465 F\n0.758120 0.657525 0.233465 F\n0.821013 0.328281 0.147541 F\n0.883205 0.012557 0.380395 F\n0.458128 0.624925 0.488441 F\n0.654356 0.087503 0.609222 F\n0.735472 0.831856 0.037197 F\n0.258120 0.342475 0.266535 F\n0.253621 0.531164 0.717508 F\n0.041872 0.624925 0.988441 F\n0.345644 0.412497 0.109222 F\n0.246379 0.031164 0.282492 F\n0.753621 0.968836 0.717508 F\n0.253621 0.031164 0.782492 F\n0.670316 0.188323 0.095181 F\n0.424349 0.425465 0.712744 F\n0.741880 0.157525 0.766535 F\n0.235472 0.668144 0.037197 F\n0.575651 0.574535 0.287256 F\n0.753621 0.468836 0.782492 F\n0.616795 0.512557 0.619605 F\n0.654356 0.587503 0.890778 F\n0.746379 0.968836 0.217508 F\n0.189079 0.038470 0.071307 F\n0.241880 0.842475 0.733465 F\n0.829684 0.688323 0.904819 F\n0.758120 0.157525 0.266535 F\n0.383205 0.487443 0.380395 F\n0.178987 0.671719 0.852459 F\n0.821013 0.828281 0.352459 F\n0.163100 0.492340 0.055613 F\n0.810921 0.461530 0.571307 F\n0.041872 0.124925 0.511559 F\n0.163100 0.992340 0.444387 F\n0.235472 0.168144 0.462803 F\n0.735472 0.331856 0.462803 F\n0.829684 0.188323 0.595181 F\n0.329684 0.811677 0.904819 F\n0.264528 0.668144 0.537197 F\n0.189079 0.538470 0.428693 F\n0.170316 0.811677 0.404819 F\n0.836900 0.507660 0.944387 F\n0.616795 0.012557 0.880395 F\n0.241880 0.342475 0.766535 F\n0.178987 0.171719 0.647541 F\n0.424349 0.925465 0.787256 F\n0.836900 0.007660 0.555613 F\n0.336900 0.492340 0.555613 F\n0.075651 0.425465 0.212744 F\n0.264528 0.168144 0.962803 F\n0.670316 0.688323 0.404819 F\n0.689079 0.461530 0.071307 F\n0.663100 0.507660 0.444387 F\n0.845644 0.087503 0.109222 F\n0.321013 0.171719 0.147541 F\n0.154356 0.412497 0.609222 F\n0.321013 0.671719 0.352459 F\n0.924349 0.074535 0.712744 F\n0.764528 0.331856 0.962803 F\n0.958128 0.375075 0.011559 F\n0.764528 0.831856 0.537197 F\n0.246379 0.531164 0.217508 F\n0.575651 0.074535 0.212744 F\n0.458128 0.124925 0.011559 F\n0.336900 0.992340 0.944387 F\n0.383205 0.987443 0.119605 F\n0.345644 0.912497 0.390778 F\n0.310921 0.538470 0.928693 F\n0.678987 0.328281 0.647541 F\n0.541872 0.875075 0.988441 F\n0.746379 0.468836 0.282492 F\n0.154356 0.912497 0.890778 F\n0.116795 0.487443 0.880395 F\n0.678987 0.828281 0.852459 F\n0.116795 0.987443 0.619605 F\n0.075651 0.925465 0.287256 F\n0.663100 0.007660 0.055613 F\n0.541872 0.375075 0.511559 F\n0.258120 0.842475 0.233465 F\n0.883205 0.512557 0.119605 F\n",
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{
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{
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{
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{
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{
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{
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{
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]
}