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"structure_string": "Na8 Si12 H8 O32\n1.0\n6.387509 0.000000 -3.568703\n0.000000 12.762272 0.000000\n-0.049916 0.000000 9.064179\nNa Si H O\n8 12 8 32\ndirect\n0.143069 0.668779 0.495063 Na\n0.856931 0.168779 0.004937 Na\n0.856931 0.331221 0.504937 Na\n0.143068 0.831221 0.995063 Na\n0.291801 0.076436 0.963583 Na\n0.708198 0.576436 0.536417 Na\n0.708199 0.923564 0.036417 Na\n0.291801 0.423564 0.463583 Na\n0.225043 0.370086 0.066516 Si\n0.774957 0.870086 0.433485 Si\n0.774956 0.629914 0.933485 Si\n0.225043 0.129914 0.566516 Si\n0.361798 0.304830 0.814404 Si\n0.638201 0.804830 0.685596 Si\n0.253658 0.604610 0.183250 Si\n0.361798 0.195170 0.314404 Si\n0.746342 0.104610 0.316751 Si\n0.746342 0.395390 0.816751 Si\n0.253658 0.895390 0.683250 Si\n0.638202 0.695170 0.185596 Si\n0.793706 0.099749 0.672416 H\n0.206294 0.900251 0.327584 H\n0.793706 0.400251 0.172416 H\n0.206293 0.599749 0.827584 H\n0.840670 0.002599 0.793545 H\n0.840671 0.497400 0.293545 H\n0.159329 0.502599 0.706456 H\n0.159329 0.997400 0.206456 H\n0.628342 0.685254 0.000154 O\n0.628341 0.814745 0.500154 O\n0.371658 0.314745 -0.000154 O\n0.390302 0.810209 0.638329 O\n0.609697 0.310209 0.861671 O\n0.609697 0.189791 0.361671 O\n0.288667 0.318807 0.251955 O\n0.711333 0.818807 0.248045 O\n0.711333 0.681192 0.748045 O\n0.288666 0.181192 0.751955 O\n0.118123 0.578465 0.709812 O\n0.881877 0.078465 0.790189 O\n0.371658 0.185255 0.499846 O\n0.390302 0.689791 0.138329 O\n0.018412 0.658402 0.067904 O\n0.675475 0.411094 0.623021 O\n0.981588 0.341597 0.932096 O\n0.018412 0.841597 0.567904 O\n0.209295 0.385241 0.673531 O\n0.790705 0.885241 0.826469 O\n0.790705 0.614759 0.326469 O\n0.209295 0.114759 0.173531 O\n0.259131 0.495769 0.085035 O\n0.740869 0.995769 0.414965 O\n0.740869 0.504231 0.914965 O\n0.259131 0.004231 0.585035 O\n0.324524 0.588905 0.376979 O\n0.675476 0.088905 0.123021 O\n0.881877 0.421535 0.290189 O\n0.324524 0.911094 0.876979 O\n0.981588 0.158403 0.432096 O\n0.118123 0.921535 0.209812 O\n",
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"nelements": 4,
"elements": [
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],
"chemical_system": "H-Na-O-Si",
"density": 2.3466336430216694,
"density_atomic": 0.08145195724071182,
"volume": 736.6305492535228,
"volume_molar": 7.393488092868044,
"formula_full": "Na8 Si12 H8 O32",
"formula_reduced": "Na2Si3(HO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.525261453333333,
"spacegroup": 14
},
{
"id": "jvasp-103581",
"created_at": "2022-09-04T14:36:46.729655Z",
"updated_at": "2022-09-04T14:36:46.729675Z",
"structure_string": "S2 O8\n1.0\n4.400160 0.165880 1.955061\n2.229142 3.797347 1.955061\n0.692452 0.413972 8.729046\nS O\n2 8\ndirect\n0.021363 0.978637 0.250000 S\n0.978636 0.021364 0.750000 S\n0.192994 0.743505 0.401613 O\n0.256494 0.807005 0.098387 O\n0.807004 0.256495 0.598387 O\n0.743504 0.192995 0.901613 O\n0.656976 0.018783 0.310369 O\n-0.018783 0.343024 0.189631 O\n0.343024 -0.018783 0.689631 O\n0.018782 0.656976 0.810370 O\n",
"nsites": 10,
"nelements": 2,
"elements": [
"S",
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],
"chemical_system": "O-S",
"density": 2.3466474320318613,
"density_atomic": 0.07355537511306201,
"volume": 135.95199514146987,
"volume_molar": 8.187220513447677,
"formula_full": "S2 O8",
"formula_reduced": "SO4",
"formula_anonymous": "AB4",
"energy_above_hull": 2.3423768000000003,
"spacegroup": 15
}
]
}