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{
"id": "mp-1197539",
"created_at": "2022-09-04T14:45:24.265111Z",
"structure_string": "K12 As4 Se16\n1.0\n9.594660 0.000000 0.000000\n0.000000 10.017924 0.000000\n0.000000 0.000000 11.199788\nK As Se\n12 4 16\ndirect\n0.638971 0.415411 0.750000 K\n0.138971 0.084589 0.750000 K\n0.361029 0.584589 0.250000 K\n0.861029 0.915411 0.250000 K\n0.564009 0.196033 0.045915 K\n0.064009 0.303967 0.454085 K\n0.435991 0.803967 0.545915 K\n0.935991 0.696033 0.954085 K\n0.435991 0.803967 0.954085 K\n0.935991 0.696033 0.545915 K\n0.564009 0.196033 0.454085 K\n0.064009 0.303967 0.045915 K\n0.721172 0.976955 0.750000 As\n0.221172 0.523045 0.750000 As\n0.278828 0.023045 0.250000 As\n0.778828 0.476955 0.250000 As\n0.847222 0.031981 0.575547 Se\n0.347222 0.468019 0.924453 Se\n0.152778 0.968019 0.075547 Se\n0.652778 0.531981 0.424453 Se\n0.152778 0.968019 0.424453 Se\n0.652778 0.531981 0.075547 Se\n0.847222 0.031981 0.924453 Se\n0.347222 0.468019 0.575547 Se\n0.678637 0.745024 0.750000 Se\n0.178637 0.754976 0.750000 Se\n0.321363 0.254976 0.250000 Se\n0.821363 0.245024 0.250000 Se\n0.505784 0.093820 0.750000 Se\n0.005784 0.406180 0.750000 Se\n0.494216 0.906180 0.250000 Se\n0.994216 0.593820 0.250000 Se\n",
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"As",
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],
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},
{
"id": "mp-640614",
"created_at": "2022-09-04T14:45:24.269281Z",
"structure_string": "In4 Si2 Ag4 Se12\n1.0\n3.798650 6.475420 0.000000\n-3.798650 6.475420 0.000000\n0.000000 4.291208 12.091864\nIn Si Ag Se\n4 2 4 12\ndirect\n0.323044 0.509440 0.938923 In\n0.509440 0.323044 0.438923 In\n0.175279 0.293096 0.741445 In\n0.293096 0.175279 0.241445 In\n0.933895 0.402649 0.498075 Si\n0.402649 0.933895 0.998075 Si\n0.396063 0.803880 0.584868 Ag\n0.989638 0.807425 0.247379 Ag\n0.803880 0.396063 0.084868 Ag\n0.807425 0.989638 0.747379 Ag\n0.600065 0.108697 0.950311 Se\n0.087060 0.100463 0.945614 Se\n0.170169 0.645839 0.753432 Se\n0.100463 0.087060 0.445614 Se\n0.052222 0.526801 0.126717 Se\n0.361839 0.829943 0.185757 Se\n0.108697 0.600065 0.450311 Se\n0.645839 0.170169 0.253432 Se\n0.526801 0.052222 0.626717 Se\n0.601531 0.646564 0.914579 Se\n0.646564 0.601531 0.414579 Se\n0.829943 0.361839 0.685757 Se\n",
"nsites": 22,
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],
"chemical_system": "Ag-In-Se-Si",
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"formula_full": "In4 Si2 Ag4 Se12",
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"updated_at": "2021-11-28T01:37:05.300000Z",
"spacegroup": 9
},
{
"id": "mp-1204384",
"created_at": "2022-09-04T14:45:24.271222Z",
"structure_string": "Ag4 H40 S32 N32 Cl4 O24\n1.0\n15.037079 0.000000 0.000000\n0.000000 11.744091 0.000000\n0.000000 2.932298 11.506095\nAg H S N Cl O\n4 40 32 32 4 24\ndirect\n0.327777 0.002835 0.250716 Ag\n0.827777 0.997165 0.249284 Ag\n0.672223 0.997165 0.749284 Ag\n0.172223 0.002835 0.750716 Ag\n0.459156 0.777328 0.586806 H\n0.959156 0.222672 0.913194 H\n0.540844 0.222672 0.413194 H\n0.040844 0.777328 0.086806 H\n0.239370 0.723066 0.551703 H\n0.739370 0.276934 0.948297 H\n0.760630 0.276934 0.448297 H\n0.260630 0.723066 0.051703 H\n0.294558 0.641138 0.301104 H\n0.794558 0.358862 0.198896 H\n0.705442 0.358862 0.698896 H\n0.205442 0.641138 0.801104 H\n0.523406 0.716436 0.324308 H\n0.023406 0.283564 0.175692 H\n0.476594 0.283564 0.675692 H\n0.976594 0.716436 0.824308 H\n0.432669 0.816430 0.936343 H\n0.932669 0.183570 0.563657 H\n0.567331 0.183570 0.063657 H\n0.067331 0.816430 0.436343 H\n0.250143 0.277362 0.946371 H\n0.750143 0.722638 0.553629 H\n0.749857 0.722638 0.053629 H\n0.249857 0.277362 0.446371 H\n0.298893 0.368136 0.188338 H\n0.798893 0.631864 0.311662 H\n0.701107 0.631864 0.811662 H\n0.201107 0.368136 0.688338 H\n0.503331 0.312376 0.165429 H\n0.003331 0.687624 0.334571 H\n0.496669 0.687624 0.834571 H\n0.996669 0.312376 0.665429 H\n0.373554 0.525465 0.034210 H\n0.873554 0.474535 0.465790 H\n0.626446 0.474535 0.965790 H\n0.126446 0.525465 0.534210 H\n0.273716 0.531154 0.059968 H\n0.773716 0.468846 0.440032 H\n0.726284 0.468846 0.940032 H\n0.226284 0.531154 0.559968 H\n0.497874 0.881409 0.398166 S\n0.997874 0.118591 0.101834 S\n0.502126 0.118591 0.601834 S\n0.002126 0.881409 0.898166 S\n0.331334 0.888615 0.531738 S\n0.831334 0.111385 0.968262 S\n0.668666 0.111385 0.468262 S\n0.168666 0.888615 0.031738 S\n0.231296 0.803205 0.351882 S\n0.731296 0.196795 0.148118 S\n0.768704 0.196795 0.648118 S\n0.268704 0.803205 0.851882 S\n0.397084 0.793063 0.222015 S\n0.897084 0.206937 0.277985 S\n0.602916 0.206937 0.777985 S\n0.102916 0.793063 0.722015 S\n0.486688 0.135294 0.101885 S\n0.986688 0.864706 0.398115 S\n0.513312 0.864706 0.898115 S\n0.013312 0.135294 0.601885 S\n0.335116 0.105736 0.984183 S\n0.835116 0.894264 0.515817 S\n0.664884 0.894264 0.015817 S\n0.164884 0.105736 0.484183 S\n0.224678 0.206409 0.144577 S\n0.724678 0.793591 0.355423 S\n0.775322 0.793591 0.855423 S\n0.275322 0.206409 0.644577 S\n0.388481 0.213632 0.282144 S\n0.888481 0.786368 0.217856 S\n0.611519 0.786368 0.717856 S\n0.111519 0.213632 0.782144 S\n0.436410 0.843928 0.520330 N\n0.936410 0.156072 0.979670 N\n0.563590 0.156072 0.479670 N\n0.063590 0.843928 0.020330 N\n0.258327 0.797318 0.490842 N\n0.758327 0.202682 0.009158 N\n0.741673 0.202682 0.509158 N\n0.241673 0.797318 0.990842 N\n0.305298 0.729368 0.291438 N\n0.805298 0.270632 0.208562 N\n0.694702 0.270632 0.708562 N\n0.194702 0.729368 0.791438 N\n0.480568 0.785643 0.316477 N\n0.980568 0.214357 0.183523 N\n0.519432 0.214357 0.683523 N\n0.019432 0.785643 0.816477 N\n0.436924 0.168765 0.977080 N\n0.936924 0.831235 0.522920 N\n0.563076 0.831235 0.022920 N\n0.063076 0.168765 0.477080 N\n0.258701 0.202406 0.011379 N\n0.758701 0.797594 0.488621 N\n0.741299 0.797594 0.988621 N\n0.241299 0.202406 0.511379 N\n0.297634 0.277469 0.211299 N\n0.797634 0.722531 0.288701 N\n0.702366 0.722531 0.788701 N\n0.202366 0.277469 0.711299 N\n0.476840 0.228818 0.192971 N\n0.976840 0.771182 0.307029 N\n0.523160 0.771182 0.807029 N\n0.023160 0.228818 0.692971 N\n0.121586 0.499222 0.298584 Cl\n0.621586 0.500778 0.201416 Cl\n0.878414 0.500778 0.701416 Cl\n0.378414 0.499222 0.798584 Cl\n0.093405 0.393475 0.266915 O\n0.593405 0.606525 0.233085 O\n0.906595 0.606525 0.733085 O\n0.406595 0.393475 0.766915 O\n0.121703 0.599149 0.196908 O\n0.621703 0.400851 0.303092 O\n0.878297 0.400851 0.803092 O\n0.378297 0.599149 0.696908 O\n0.211861 0.481995 0.348644 O\n0.711861 0.518005 0.151356 O\n0.788139 0.518005 0.651356 O\n0.288139 0.481995 0.848644 O\n0.060631 0.525049 0.387189 O\n0.560631 0.474951 0.112811 O\n0.939369 0.474951 0.612811 O\n0.439369 0.525049 0.887189 O\n0.331693 0.532317 0.096112 O\n0.831693 0.467683 0.403888 O\n0.668307 0.467683 0.903888 O\n0.168307 0.532317 0.596112 O\n0.965660 0.514007 0.021638 O\n0.465660 0.485993 0.478362 O\n0.034340 0.485993 0.978362 O\n0.534340 0.514007 0.521638 O\n",
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"elements": [
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"H",
"S",
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"volume": 2031.9398353703687,
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"formula_full": "Ag4 H40 S32 N32 Cl4 O24",
"formula_reduced": "AgH10S8N8ClO6",
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"energy": -696.8061845999999,
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"spacegroup": 14
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{
"id": "mp-1220849",
"created_at": "2022-09-04T14:45:24.273556Z",
"structure_string": "Na1 La1 Ta2 O9\n1.0\n3.950739 0.000000 0.000000\n0.000000 3.931482 0.000000\n1.975370 1.965741 12.640246\nNa La Ta O\n1 1 2 9\ndirect\n0.242587 0.242587 0.514826 Na\n0.997601 0.997601 0.004797 La\n0.408529 0.408529 0.182942 Ta\n0.586499 0.586499 0.827001 Ta\n0.497171 0.497171 0.005657 O\n0.336707 0.336707 0.326586 O\n0.658064 0.658064 0.683872 O\n0.570085 0.070085 0.859830 O\n0.069712 0.569712 0.860576 O\n0.424599 0.924599 0.150802 O\n0.925213 0.425213 0.149575 O\n0.290404 0.790404 0.419193 O\n0.702829 0.202829 0.594343 O\n",
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{
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{
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{
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