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{
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{
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{
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"id": "mp-1199634",
"created_at": "2022-09-04T14:40:32.366510Z",
"structure_string": "Na2 Mg1 H32 S2 O24\n1.0\n6.658708 0.000000 0.000000\n-2.758746 -6.122471 0.000000\n-2.579839 0.375518 -14.391717\nNa Mg H S O\n2 1 32 2 24\ndirect\n0.749311 0.946508 0.049344 Na\n0.250689 0.053492 0.950656 Na\n0.000000 0.000000 0.500000 Mg\n0.709174 0.337340 0.937968 H\n0.290826 0.662660 0.062032 H\n0.601311 0.991819 0.228070 H\n0.398689 0.008181 0.771930 H\n0.799867 0.599739 0.572460 H\n0.200133 0.400261 0.427540 H\n0.797816 0.994241 0.850154 H\n0.202184 0.005759 0.149846 H\n0.563718 0.845040 0.414233 H\n0.436282 0.154960 0.585767 H\n0.573095 0.561617 0.142012 H\n0.426905 0.438383 0.857988 H\n0.693052 0.374007 0.040792 H\n0.306948 0.625993 0.959208 H\n0.148131 0.935147 0.336245 H\n0.851869 0.064853 0.663755 H\n0.547005 0.417215 0.348777 H\n0.452995 0.582785 0.651223 H\n0.781106 0.428626 0.332076 H\n0.218894 0.571374 0.667924 H\n0.655395 0.104659 0.418825 H\n0.344605 0.895341 0.581175 H\n0.925115 0.971181 0.308895 H\n0.074885 0.028819 0.691105 H\n0.819388 0.579372 0.167506 H\n0.180612 0.420628 0.832494 H\n0.802803 0.560037 0.466961 H\n0.197197 0.439963 0.533039 H\n0.827548 0.199801 0.224271 H\n0.172452 0.800199 0.775729 H\n0.797581 0.762283 0.868944 H\n0.202419 0.237717 0.131056 H\n0.236905 0.605878 0.253373 S\n0.763095 0.394122 0.746627 S\n0.299568 0.846529 0.245541 O\n0.700432 0.153471 0.754459 O\n0.358668 0.563634 0.342936 O\n0.641332 0.436366 0.657064 O\n0.989508 0.490307 0.250686 O\n0.010492 0.509693 0.749314 O\n0.298523 0.523892 0.173902 O\n0.701477 0.476108 0.826098 O\n0.681430 0.977845 0.445633 O\n0.318570 0.022155 0.554367 O\n0.031653 0.954761 0.362397 O\n0.968347 0.045239 0.637603 O\n0.870166 0.670143 0.518891 O\n0.129834 0.329857 0.481109 O\n0.707752 0.590562 0.115161 O\n0.292248 0.409438 0.884839 O\n0.673861 0.259209 0.996015 O\n0.326139 0.740791 0.003985 O\n0.842037 0.906047 0.898776 O\n0.157963 0.093953 0.101224 O\n0.753554 0.039619 0.213745 O\n0.246446 0.960381 0.786255 O\n0.668674 0.370889 0.373326 O\n0.331326 0.629111 0.626674 O\n",
"nsites": 61,
"nelements": 5,
"elements": [
"Na",
"Mg",
"H",
"S",
"O"
],
"chemical_system": "H-Mg-Na-O-S",
"density": 1.5584710905321055,
"density_atomic": 0.10396819816019304,
"volume": 586.7178721902238,
"volume_molar": 5.792291168421668,
"formula_full": "Na2 Mg1 H32 S2 O24",
"formula_reduced": "Na2MgH32(SO12)2",
"formula_anonymous": "AB2C2D24E32",
"energy": -330.55115404,
"energy_per_atom": -5.418871377704917,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.06315404,
"band_gap": 5.2557,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006113,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.132000Z",
"spacegroup": 2
}
]
}