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{
"id": "mp-11740",
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{
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"structure_string": "Li8 B8 H32 O32\n1.0\n7.844409 0.000000 0.000000\n0.000000 8.634831 0.000000\n0.000000 0.000000 9.266105\nLi B H O\n8 8 32 32\ndirect\n0.372165 0.374282 0.301254 Li\n0.872165 0.125718 0.698746 Li\n0.627835 0.874282 0.198746 Li\n0.127835 0.625718 0.801254 Li\n0.627835 0.625718 0.698746 Li\n0.127835 0.874282 0.301254 Li\n0.372165 0.125718 0.801254 Li\n0.872165 0.374282 0.198746 Li\n0.671718 0.159663 0.408791 B\n0.171718 0.340337 0.591209 B\n0.328282 0.659663 0.091209 B\n0.828282 0.840337 0.908791 B\n0.328282 0.840337 0.591209 B\n0.828282 0.659663 0.408791 B\n0.671718 0.340337 0.908791 B\n0.171718 0.159663 0.091209 B\n0.923056 0.212999 0.427348 H\n0.423056 0.287001 0.572652 H\n0.076944 0.712999 0.072652 H\n0.576944 0.787001 0.927348 H\n0.076944 0.787001 0.572652 H\n0.576944 0.712999 0.427348 H\n0.923056 0.287001 0.927348 H\n0.423056 0.212999 0.072652 H\n0.983659 0.115383 0.244536 H\n0.483659 0.384617 0.755464 H\n0.016341 0.615383 0.255464 H\n0.516341 0.884617 0.744536 H\n0.016341 0.884617 0.755464 H\n0.516341 0.615383 0.244536 H\n0.983659 0.384617 0.744536 H\n0.483659 0.115383 0.255464 H\n0.104881 0.469622 0.413572 H\n0.604881 0.030378 0.586428 H\n0.895119 0.969622 0.086428 H\n0.395119 0.530378 0.913572 H\n0.895119 0.530378 0.586428 H\n0.395119 0.969622 0.413572 H\n0.104881 0.030378 0.913572 H\n0.604881 0.469622 0.086428 H\n0.642574 0.388429 0.468229 H\n0.142574 0.111571 0.531771 H\n0.357426 0.888429 0.031771 H\n0.857426 0.611571 0.968229 H\n0.357426 0.611571 0.531771 H\n0.857426 0.888429 0.468229 H\n0.642574 0.111571 0.968229 H\n0.142574 0.388429 0.031771 H\n0.839132 0.205868 0.346171 O\n0.339132 0.294132 0.653829 O\n0.160868 0.705868 0.153829 O\n0.660868 0.794132 0.846171 O\n0.160868 0.794132 0.653829 O\n0.660868 0.705868 0.346171 O\n0.839132 0.294132 0.846171 O\n0.339132 0.205868 0.153829 O\n0.570054 0.058344 0.314132 O\n0.070054 0.441656 0.685868 O\n0.429946 0.558344 0.185868 O\n0.929946 0.941656 0.814132 O\n0.429946 0.941656 0.685868 O\n0.929946 0.558344 0.314132 O\n0.570054 0.441656 0.814132 O\n0.070054 0.058344 0.185868 O\n0.710136 0.075097 0.544256 O\n0.210136 0.424903 0.455744 O\n0.289864 0.575097 0.955744 O\n0.789864 0.924903 0.044256 O\n0.289864 0.924903 0.455744 O\n0.789864 0.575097 0.544256 O\n0.710136 0.424903 0.044256 O\n0.210136 0.075097 0.955744 O\n0.567719 0.304705 0.433377 O\n0.067719 0.195295 0.566623 O\n0.432281 0.804705 0.066623 O\n0.932281 0.695295 0.933377 O\n0.432281 0.695295 0.566623 O\n0.932281 0.804705 0.433377 O\n0.567719 0.195295 0.933377 O\n0.067719 0.304705 0.066623 O\n",
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"formula_full": "Li8 B8 H32 O32",
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"spacegroup": 61
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{
"id": "mp-1208266",
"created_at": "2022-09-04T14:47:07.703182Z",
"structure_string": "Tl8 Fe8 S12 O48\n1.0\n10.258025 0.000000 0.000000\n0.000000 10.258025 0.000000\n0.000000 0.000000 10.258025\nTl Fe S O\n8 8 12 48\ndirect\n0.048237 0.048237 0.048237 Tl\n0.451763 0.951763 0.548237 Tl\n0.951763 0.548237 0.451763 Tl\n0.548237 0.451763 0.951763 Tl\n0.816829 0.816829 0.816829 Tl\n0.683171 0.183171 0.316829 Tl\n0.183171 0.316829 0.683171 Tl\n0.316829 0.683171 0.183171 Tl\n0.335221 0.335221 0.335221 Fe\n0.164779 0.664779 0.835221 Fe\n0.664779 0.835221 0.164779 Fe\n0.835221 0.164779 0.664779 Fe\n0.598307 0.598307 0.598307 Fe\n0.901693 0.401693 0.098307 Fe\n0.401693 0.098307 0.901693 Fe\n0.098307 0.901693 0.401693 Fe\n0.018121 0.216103 0.375898 S\n0.481880 0.783897 0.875898 S\n0.981880 0.716103 0.124102 S\n0.375898 0.018121 0.216103 S\n0.518120 0.283897 0.624102 S\n0.875898 0.481880 0.783897 S\n0.124102 0.981880 0.716103 S\n0.624102 0.518120 0.283897 S\n0.216103 0.375898 0.018121 S\n0.716103 0.124102 0.981880 S\n0.283897 0.624102 0.518120 S\n0.783897 0.875898 0.481880 S\n0.009478 0.078158 0.329638 O\n0.490522 0.921842 0.829638 O\n0.990522 0.578158 0.170362 O\n0.329638 0.009478 0.078158 O\n0.509478 0.421842 0.670362 O\n0.829638 0.490522 0.921842 O\n0.170362 0.990522 0.578158 O\n0.670362 0.509478 0.421842 O\n0.078158 0.329638 0.009478 O\n0.578158 0.170362 0.990522 O\n0.421842 0.670362 0.509478 O\n0.921842 0.829638 0.490522 O\n0.265454 0.501558 0.442114 O\n0.234546 0.498442 0.942114 O\n0.734546 0.001558 0.057886 O\n0.442114 0.265454 0.501558 O\n0.765454 0.998442 0.557886 O\n0.942114 0.234546 0.498442 O\n0.057886 0.734546 0.001558 O\n0.557886 0.765454 0.998442 O\n0.501558 0.442114 0.265454 O\n0.001558 0.057886 0.734546 O\n0.998442 0.557886 0.765454 O\n0.498442 0.942114 0.234546 O\n0.040629 0.802308 0.224661 O\n0.459371 0.197692 0.724661 O\n0.959371 0.302308 0.275339 O\n0.224661 0.040629 0.802308 O\n0.540629 0.697692 0.775339 O\n0.724661 0.459371 0.197692 O\n0.275339 0.959371 0.302308 O\n0.775339 0.540629 0.697692 O\n0.802308 0.224661 0.040629 O\n0.302308 0.275339 0.959371 O\n0.697692 0.775339 0.540629 O\n0.197692 0.724661 0.459371 O\n0.155718 0.252602 0.402153 O\n0.344282 0.747398 0.902153 O\n0.844282 0.752602 0.097847 O\n0.402153 0.155718 0.252602 O\n0.655718 0.247398 0.597847 O\n0.902153 0.344282 0.747398 O\n0.097847 0.844282 0.752602 O\n0.597847 0.655718 0.247398 O\n0.252602 0.402153 0.155718 O\n0.752602 0.097847 0.844282 O\n0.247398 0.597847 0.655718 O\n0.747398 0.902153 0.344282 O\n",
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"formula_full": "Tl8 Fe8 S12 O48",
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{
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"structure_string": "Ca4 Mg2\n1.0\n3.186033 -5.518370 0.000000\n3.186033 5.518370 0.000000\n0.000000 0.000000 5.968720\nCa Mg\n4 2\ndirect\n0.000000 0.653132 0.500000 Ca\n0.653132 0.000000 0.500000 Ca\n0.346868 0.346868 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.000000 Mg\n0.333333 0.666667 0.000000 Mg\n",
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{
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"structure_string": "Ta2 Rh2 O8\n1.0\n-3.385718 3.385718 3.042749\n3.385718 -3.385718 3.042749\n3.385718 3.385718 -3.042749\nTa Rh O\n2 2 8\ndirect\n0.261021 0.761021 0.500000 Ta\n0.011021 0.011021 0.000000 Ta\n0.748696 0.248696 0.500000 Rh\n0.498696 0.498696 0.000000 Rh\n0.439688 0.237037 0.202651 O\n0.955505 0.758104 0.197401 O\n0.008104 0.310703 0.302599 O\n0.487037 0.784387 0.297349 O\n0.008104 0.705505 0.697401 O\n0.487037 0.189688 0.702651 O\n0.560703 0.758104 0.802599 O\n0.034387 0.237037 0.797349 O\n",
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{
"id": "mp-571266",
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"structure_string": "Ga2 Cl6\n1.0\n7.116952 0.000000 0.000000\n-3.246926 6.397506 0.000000\n-3.211623 -1.906079 6.262968\nGa Cl\n2 6\ndirect\n0.931046 0.848089 0.779812 Ga\n0.068954 0.151911 0.220188 Ga\n0.345097 0.171604 0.517398 Cl\n0.789022 0.785279 0.019183 Cl\n0.118520 0.680975 0.803443 Cl\n0.654903 0.828396 0.482602 Cl\n0.210978 0.214721 0.980817 Cl\n0.881480 0.319025 0.196557 Cl\n",
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{
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{
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"structure_string": "Na2 V2 Si2 C2 O14\n1.0\n6.426129 0.000000 0.000000\n0.000000 5.407741 0.000000\n0.000000 0.515931 9.047669\nNa V Si C O\n2 2 2 2 14\ndirect\n0.514186 0.764817 0.776121 Na\n0.014186 0.235183 0.223879 Na\n0.234085 0.201803 0.656224 V\n0.734085 0.798197 0.343776 V\n0.740158 0.275235 0.561955 Si\n0.240158 0.724765 0.438045 Si\n0.256540 0.277641 0.919886 C\n0.756540 0.722359 0.080114 C\n0.755489 0.689820 0.946863 O\n0.250418 0.056876 0.859828 O\n0.259529 0.453340 0.811161 O\n0.953103 0.213644 0.658636 O\n0.540125 0.205149 0.662333 O\n0.254367 0.894821 0.583502 O\n0.744149 0.568999 0.501902 O\n0.244149 0.431001 0.498098 O\n0.754367 0.105179 0.416498 O\n0.040125 0.794851 0.337667 O\n0.453103 0.786356 0.341364 O\n0.759529 0.546660 0.188839 O\n0.750418 0.943124 0.140172 O\n0.255489 0.310180 0.053137 O\n",
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{
"id": "mp-554131",
"created_at": "2022-09-04T14:47:03.808151Z",
"structure_string": "Sr4 Li4 Co4 F24\n1.0\n8.825812 0.000000 0.000000\n0.000000 5.374265 0.000000\n0.000000 0.476446 10.354323\nSr Li Co F\n4 4 4 24\ndirect\n0.704786 0.753430 0.498799 Sr\n0.204786 0.246570 0.001201 Sr\n0.795214 0.753430 0.998799 Sr\n0.295214 0.246570 0.501201 Sr\n0.078086 0.716436 0.744679 Li\n0.578086 0.283564 0.755321 Li\n0.921914 0.283564 0.255321 Li\n0.421914 0.716436 0.244679 Li\n0.916321 0.215497 0.740880 Co\n0.416321 0.784503 0.759120 Co\n0.583679 0.215497 0.240880 Co\n0.083679 0.784503 0.259120 Co\n0.264777 0.609080 0.862627 F\n0.251631 0.882776 0.151910 F\n0.094808 0.082447 0.356942 F\n0.748369 0.117224 0.848090 F\n0.951269 0.490743 0.859983 F\n0.422530 0.368020 0.149140 F\n0.922530 0.631980 0.350860 F\n0.077470 0.368020 0.649140 F\n0.048731 0.509257 0.140017 F\n0.037690 0.002497 0.861746 F\n0.405192 0.082447 0.856942 F\n0.751631 0.117224 0.348090 F\n0.905192 0.917553 0.643058 F\n0.462310 0.002497 0.361746 F\n0.577470 0.631980 0.850860 F\n0.962310 0.997503 0.138254 F\n0.764777 0.390920 0.637373 F\n0.594808 0.917553 0.143058 F\n0.537690 0.997503 0.638254 F\n0.548731 0.490743 0.359983 F\n0.235223 0.609080 0.362627 F\n0.451269 0.509257 0.640017 F\n0.248369 0.882776 0.651910 F\n0.735223 0.390920 0.137373 F\n",
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"elements": [
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