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"structure_string": "Li8 Zn4 I16\n1.0\n7.017376 -0.000000 0.000000\n0.000000 8.521139 0.000000\n0.000000 0.000000 14.748634\nLi Zn I\n8 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.997930 0.750000 0.736990 Li\n0.497930 0.250000 0.763010 Li\n0.002070 0.250000 0.263010 Li\n0.502071 0.750000 0.236990 Li\n0.903926 0.750000 0.414508 Zn\n0.403926 0.250000 0.085492 Zn\n0.096074 0.250000 0.585491 Zn\n0.596074 0.750000 0.914508 Zn\n0.746488 0.996133 0.332745 I\n0.246488 0.003867 0.167255 I\n0.746488 0.503867 0.332745 I\n0.246488 0.496133 0.167255 I\n0.253512 0.003867 0.667255 I\n0.753513 0.996133 0.832745 I\n0.752143 0.750000 0.078774 I\n0.723925 0.250000 0.588255 I\n0.247857 0.250000 0.921226 I\n0.747858 0.750000 0.578774 I\n0.276075 0.750000 0.411745 I\n0.776076 0.250000 0.088255 I\n0.753513 0.503867 0.832745 I\n0.223925 0.750000 0.911745 I\n0.252143 0.250000 0.421226 I\n0.253512 0.496133 0.667255 I\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Zn",
"I"
],
"chemical_system": "I-Li-Zn",
"density": 4.420338968328657,
"density_atomic": 0.03174927671629596,
"volume": 881.9098542055427,
"volume_molar": 18.96780457020306,
"formula_full": "Li8 Zn4 I16",
"formula_reduced": "Li2ZnI4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-45378",
"created_at": "2022-09-04T14:36:30.857887Z",
"updated_at": "2022-09-04T14:36:30.857920Z",
"structure_string": "Ba2 Si8 O18\n1.0\n3.282380 -5.685249 -0.000000\n3.282380 5.685249 0.000000\n0.000000 0.000000 9.464062\nBa Si O\n2 8 18\ndirect\n0.333333 0.666667 0.500000 Ba\n0.333333 0.666667 0.000000 Ba\n0.666667 0.333333 0.000000 Si\n0.787517 0.699125 0.750000 Si\n0.300875 0.088391 0.750000 Si\n0.666667 0.333333 0.500000 Si\n0.787517 0.088391 0.250000 Si\n0.911609 0.699125 0.250000 Si\n0.300875 0.212483 0.250000 Si\n0.911609 0.212483 0.750000 Si\n0.894295 0.337965 0.606887 O\n0.734885 0.811721 0.250000 O\n0.076836 0.265115 0.250000 O\n0.188279 0.923164 0.250000 O\n0.076836 0.811721 0.750000 O\n0.734885 0.923164 0.750000 O\n0.188279 0.265115 0.750000 O\n0.894295 0.337965 0.893112 O\n0.894295 0.556330 0.393112 O\n0.662035 0.105705 0.106887 O\n0.894295 0.556330 0.106887 O\n0.443670 0.337965 0.106887 O\n0.662035 0.556330 0.893112 O\n0.443670 0.337965 0.393112 O\n0.662035 0.556330 0.606887 O\n0.662035 0.105705 0.393112 O\n0.443670 0.105705 0.893112 O\n0.443670 0.105705 0.606887 O\n",
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"elements": [
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],
"chemical_system": "Ba-O-Si",
"density": 3.7013353262274573,
"density_atomic": 0.07927059367207759,
"volume": 353.2205159939753,
"volume_molar": 7.596941666555538,
"formula_full": "Ba2 Si8 O18",
"formula_reduced": "BaSi4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 2.785339419285714,
"spacegroup": 188
}
]
}