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"structure_string": "Al2 H8 Se4 O16\n1.0\n7.299329 0.000000 -1.890385\n0.000000 6.276744 0.000000\n0.135926 0.000000 7.227736\nAl H Se O\n2 8 4 16\ndirect\n0.000000 0.000000 0.500000 Al\n0.500000 0.500000 0.000000 Al\n0.726068 0.757631 0.903764 H\n0.226068 0.742368 0.403764 H\n0.273932 0.242369 0.096237 H\n0.773933 0.257631 0.596238 H\n0.953038 0.229764 0.771513 H\n0.453037 0.270236 0.271512 H\n0.046963 0.770236 0.228489 H\n0.546963 0.729763 0.728489 H\n0.397205 0.187780 0.639546 Se\n0.897205 0.312220 0.139546 Se\n0.102796 0.687780 0.860456 Se\n0.602795 0.812219 0.360456 Se\n0.644318 0.589960 0.235610 O\n0.302169 0.674559 0.032501 O\n0.802169 0.825440 0.532502 O\n0.855682 0.089960 0.264391 O\n0.355682 0.410039 0.764391 O\n0.144318 0.910039 0.735610 O\n0.909242 0.233039 0.629425 O\n0.046327 0.231358 0.009394 O\n0.090758 0.766960 0.370577 O\n0.590758 0.733039 0.870577 O\n0.453673 0.731357 0.490607 O\n0.953673 0.768642 0.990608 O\n0.546328 0.268642 0.509394 O\n0.197832 0.174559 0.467500 O\n0.409242 0.266961 0.129424 O\n0.697832 0.325440 0.967500 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
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],
"chemical_system": "Al-H-O-Se",
"density": 3.163083686645987,
"density_atomic": 0.09015535974535094,
"volume": 332.75891843520725,
"volume_molar": 6.6797368198739235,
"formula_full": "Al2 H8 Se4 O16",
"formula_reduced": "AlH4(SeO4)2",
"formula_anonymous": "AB2C4D8",
"energy_above_hull": 2.737497835555556,
"spacegroup": 14
},
{
"id": "jvasp-110909",
"created_at": "2022-09-04T14:38:38.484850Z",
"updated_at": "2022-09-04T14:38:38.484869Z",
"structure_string": "Ho2 Al2 Si2\n1.0\n5.505620 -0.013160 0.000000\n-4.048849 3.730797 0.000000\n0.000000 -0.000000 5.689300\nHo Al Si\n2 2 2\ndirect\n0.693294 0.306706 0.250000 Ho\n0.306706 0.693295 0.750000 Ho\n0.000000 0.000000 0.000000 Al\n0.000000 0.000000 0.500000 Al\n0.397899 0.602102 0.250000 Si\n0.602101 0.397899 0.750000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
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],
"chemical_system": "Al-Ho-Si",
"density": 6.268417602910399,
"density_atomic": 0.051476926905567245,
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"volume_molar": 11.698718478372694,
"formula_full": "Ho2 Al2 Si2",
"formula_reduced": "HoAlSi",
"formula_anonymous": "ABC",
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"spacegroup": 63
}
]
}