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{
"id": "mp-1022978",
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"structure_string": "Mg12 Mn2 Sn2\n1.0\n4.964773 0.000000 0.000000\n0.000000 6.346632 0.000000\n0.000000 0.000000 10.862485\nMg Mn Sn\n12 2 2\ndirect\n0.000000 0.744703 0.581856 Mg\n0.000000 0.255297 0.581856 Mg\n0.000000 0.000000 0.333519 Mg\n0.500000 0.744672 0.414268 Mg\n0.500000 0.255328 0.414268 Mg\n0.500000 0.000000 0.167858 Mg\n0.000000 0.244703 0.081856 Mg\n0.000000 0.755297 0.081856 Mg\n0.000000 0.500000 0.833519 Mg\n0.500000 0.244672 0.914268 Mg\n0.500000 0.755328 0.914268 Mg\n0.500000 0.500000 0.667858 Mg\n0.000000 0.000000 0.833928 Mn\n0.000000 0.500000 0.333928 Mn\n0.500000 0.000000 0.672448 Sn\n0.500000 0.500000 0.172448 Sn\n",
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{
"id": "mp-707929",
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"structure_string": "Li8 B8 H16 C32 O72\n1.0\n5.655964 0.000000 0.000000\n0.000000 16.077508 0.000000\n0.000000 0.000000 16.267432\nLi B H C O\n8 8 16 32 72\ndirect\n0.376816 0.751761 0.154428 Li\n0.623184 0.748239 0.654428 Li\n0.123184 0.251761 0.845572 Li\n0.876816 0.248239 0.345572 Li\n0.623184 0.248239 0.845572 Li\n0.376816 0.251761 0.345572 Li\n0.876816 0.748239 0.154428 Li\n0.123184 0.751761 0.654428 Li\n0.280843 0.557494 0.910216 B\n0.719157 0.942506 0.410216 B\n0.219157 0.057494 0.089784 B\n0.780843 0.442506 0.589784 B\n0.719157 0.442506 0.089784 B\n0.280843 0.057494 0.589784 B\n0.780843 0.942506 0.910216 B\n0.219157 0.557494 0.410216 B\n0.632907 0.771581 0.290751 H\n0.367093 0.728419 0.790751 H\n0.867093 0.271581 0.709249 H\n0.132907 0.228419 0.209249 H\n0.367093 0.228419 0.709249 H\n0.632907 0.271581 0.209249 H\n0.132907 0.728419 0.290751 H\n0.867093 0.771581 0.790751 H\n0.663549 0.854204 0.238057 H\n0.336451 0.645796 0.738057 H\n0.836451 0.354204 0.761943 H\n0.163549 0.145796 0.261943 H\n0.336451 0.145796 0.761943 H\n0.663549 0.354204 0.261943 H\n0.163549 0.645796 0.238057 H\n0.836451 0.854204 0.738057 H\n0.146923 0.654350 0.003942 C\n0.853077 0.845650 0.503942 C\n0.353077 0.154350 0.996058 C\n0.646923 0.345650 0.496058 C\n0.853077 0.345650 0.996058 C\n0.146923 0.154350 0.496058 C\n0.646923 0.845650 0.003942 C\n0.353077 0.654350 0.503942 C\n0.019610 0.667248 0.920813 C\n0.980390 0.832752 0.420813 C\n0.480390 0.167248 0.079187 C\n0.519610 0.332752 0.579187 C\n0.980390 0.332752 0.079187 C\n0.019610 0.167248 0.579187 C\n0.519610 0.832752 0.920813 C\n0.480390 0.667248 0.420813 C\n0.375369 0.425879 0.866879 C\n0.624631 0.074121 0.366879 C\n0.124631 0.925879 0.133121 C\n0.875369 0.574121 0.633121 C\n0.624631 0.574121 0.133121 C\n0.375369 0.925879 0.633121 C\n0.875369 0.074121 0.866879 C\n0.124631 0.425879 0.366879 C\n0.568735 0.486897 0.838062 C\n0.431265 0.013103 0.338062 C\n0.931265 0.986897 0.161938 C\n0.068735 0.513103 0.661938 C\n0.431265 0.513103 0.161938 C\n0.568735 0.986897 0.661938 C\n0.068735 0.013103 0.838062 C\n0.931265 0.486897 0.338062 C\n0.511144 0.561956 0.866809 O\n0.488856 0.938044 0.366809 O\n0.988856 0.061956 0.133191 O\n0.011144 0.438044 0.633191 O\n0.488856 0.438044 0.133191 O\n0.511144 0.061956 0.633191 O\n0.011144 0.938044 0.866809 O\n0.988856 0.561956 0.366809 O\n0.122124 0.696025 0.065997 O\n0.877876 0.803975 0.565997 O\n0.377876 0.196025 0.934003 O\n0.622124 0.303975 0.434003 O\n0.877876 0.303975 0.934003 O\n0.122124 0.196025 0.434003 O\n0.622124 0.803975 0.065997 O\n0.377876 0.696025 0.565997 O\n0.370233 0.351286 0.852423 O\n0.629767 0.148714 0.352423 O\n0.129767 0.851286 0.147577 O\n0.870233 0.648714 0.647577 O\n0.629767 0.648714 0.147577 O\n0.370233 0.851286 0.647577 O\n0.870233 0.148714 0.852423 O\n0.129767 0.351286 0.352423 O\n0.295075 0.590692 0.995669 O\n0.704925 0.909308 0.495669 O\n0.204925 0.090692 0.004331 O\n0.795075 0.409308 0.504331 O\n0.704925 0.409308 0.004331 O\n0.295075 0.090692 0.504331 O\n0.795075 0.909308 0.995669 O\n0.204925 0.590692 0.495669 O\n0.879435 0.722154 0.903896 O\n0.120565 0.777846 0.403896 O\n0.620565 0.222154 0.096104 O\n0.379435 0.277846 0.596104 O\n0.120565 0.277846 0.096104 O\n0.879435 0.222154 0.596104 O\n0.379435 0.777846 0.903896 O\n0.620565 0.722154 0.403896 O\n0.741163 0.469521 0.796787 O\n0.258837 0.030479 0.296787 O\n0.758837 0.969521 0.203213 O\n0.241163 0.530479 0.703213 O\n0.258837 0.530479 0.203213 O\n0.741163 0.969521 0.703213 O\n0.241163 0.030479 0.796787 O\n0.758837 0.469521 0.296787 O\n0.215128 0.467777 0.909478 O\n0.784872 0.032223 0.409478 O\n0.284872 0.967777 0.090522 O\n0.715128 0.532223 0.590522 O\n0.784872 0.532223 0.090522 O\n0.215128 0.967777 0.590522 O\n0.715128 0.032223 0.909478 O\n0.284872 0.467777 0.409478 O\n0.099491 0.609580 0.869279 O\n0.900509 0.890420 0.369279 O\n0.400509 0.109580 0.130721 O\n0.599491 0.390420 0.630721 O\n0.900509 0.390420 0.130721 O\n0.099491 0.109580 0.630721 O\n0.599491 0.890420 0.869279 O\n0.400509 0.609580 0.369279 O\n0.627285 0.794464 0.234749 O\n0.372715 0.705536 0.734749 O\n0.872715 0.294464 0.765251 O\n0.127285 0.205536 0.265251 O\n0.372715 0.205536 0.765251 O\n0.627285 0.294464 0.265251 O\n0.127285 0.705536 0.234749 O\n0.872715 0.794464 0.734749 O\n",
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"density": 1.9020918985418895,
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"volume": 1479.259513051991,
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"formula_full": "Li8 B8 H16 C32 O72",
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"energy": -1013.52789491,
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{
"id": "mp-1225925",
"created_at": "2022-09-04T14:47:14.106199Z",
"structure_string": "Fe8 Te16 Br4 Cl4 O40\n1.0\n0.000000 -6.684309 0.000000\n-12.835725 0.000000 4.167040\n-0.015298 0.000000 -14.492271\nFe Te Br Cl O\n8 16 4 4 40\ndirect\n0.501975 0.881920 0.523303 Fe\n0.001975 0.118080 0.976697 Fe\n0.498025 0.118080 0.476697 Fe\n0.998025 0.881920 0.023303 Fe\n0.792540 0.062836 0.642733 Fe\n0.292540 0.937164 0.857267 Fe\n0.207459 0.937164 0.357267 Fe\n0.707460 0.062836 0.142733 Fe\n0.308280 0.109303 0.714310 Te\n0.808280 0.890697 0.785690 Te\n0.691720 0.890697 0.285690 Te\n0.191720 0.109303 0.214310 Te\n0.796356 0.282610 0.857667 Te\n0.296356 0.717390 0.642333 Te\n0.203644 0.717390 0.142333 Te\n0.703644 0.282610 0.357667 Te\n0.985213 0.800411 0.480711 Te\n0.485212 0.199589 0.019289 Te\n0.014788 0.199589 0.519289 Te\n0.514787 0.800411 0.980711 Te\n0.966300 0.364856 0.140340 Te\n0.466300 0.635144 0.359660 Te\n0.033700 0.635144 0.859660 Te\n0.533700 0.364856 0.640340 Te\n0.220347 0.437353 0.044587 Br\n0.720347 0.562647 0.455413 Br\n0.779653 0.562647 0.955413 Br\n0.279653 0.437353 0.544587 Br\n0.141846 0.382321 0.778909 Cl\n0.641846 0.617679 0.721091 Cl\n0.858154 0.617679 0.221091 Cl\n0.358154 0.382321 0.278909 Cl\n0.053042 0.785322 0.607833 O\n0.553042 0.214678 0.892167 O\n0.946958 0.214678 0.392167 O\n0.446958 0.785322 0.107833 O\n0.215598 0.886998 0.480828 O\n0.715599 0.113002 0.019172 O\n0.784401 0.113002 0.519172 O\n0.284401 0.886998 0.980828 O\n0.486969 0.037088 0.602903 O\n0.986969 0.962912 0.897097 O\n0.513031 0.962912 0.397097 O\n0.013031 0.037088 0.102903 O\n0.987351 0.187303 0.877666 O\n0.487351 0.812697 0.622334 O\n0.012649 0.812697 0.122334 O\n0.512649 0.187303 0.377666 O\n0.800225 0.910242 0.552092 O\n0.300225 0.089758 0.947908 O\n0.199775 0.089758 0.447908 O\n0.699775 0.910242 0.052092 O\n0.730176 0.212814 0.724931 O\n0.230176 0.787186 0.775069 O\n0.269824 0.787186 0.275069 O\n0.769824 0.212814 0.224931 O\n0.091641 0.230395 0.092259 O\n0.591641 0.769605 0.407741 O\n0.908359 0.769605 0.907741 O\n0.408359 0.230395 0.592259 O\n0.253669 0.986994 0.746342 O\n0.753669 0.013006 0.753658 O\n0.746331 0.013006 0.253658 O\n0.246331 0.986994 0.246342 O\n0.760909 0.337376 0.048102 O\n0.260909 0.662624 0.451898 O\n0.239091 0.662624 0.951898 O\n0.739091 0.337376 0.548102 O\n0.075973 0.098950 0.636601 O\n0.575973 0.901050 0.863399 O\n0.924027 0.901050 0.363399 O\n0.424027 0.098950 0.136601 O\n",
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{
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{
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