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"chemical_system": "B-O-Sm-W",
"density": 7.397957601797618,
"density_atomic": 0.07897953269073041,
"volume": 354.5222293178531,
"volume_molar": 7.624938455361107,
"formula_full": "Sm6 B2 W2 O18",
"formula_reduced": "Sm3BWO9",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 3.178929336309524,
"spacegroup": 173
},
{
"id": "jvasp-27156",
"created_at": "2022-09-04T14:38:32.885815Z",
"updated_at": "2022-09-04T14:38:32.885831Z",
"structure_string": "Rb2 Ta2 Ge6 O18\n1.0\n3.558410 -6.163348 -0.000000\n3.558410 6.163348 0.000000\n0.000000 0.000000 10.294941\nRb Ta Ge O\n2 2 6 18\ndirect\n0.666667 0.333333 0.000000 Rb\n0.666667 0.333333 0.500000 Rb\n0.333333 0.666667 0.000000 Ta\n0.333333 0.666667 0.500000 Ta\n0.074978 0.785111 0.750000 Ge\n0.710134 0.925022 0.750000 Ge\n0.214889 0.289866 0.750000 Ge\n0.214889 0.925022 0.250000 Ge\n0.074978 0.289866 0.250000 Ge\n0.710134 0.785111 0.250000 Ge\n0.559772 0.659570 0.109686 O\n0.099798 0.659570 0.609686 O\n0.340430 0.440227 0.609686 O\n0.099798 0.659570 0.890314 O\n0.340430 0.440227 0.890314 O\n0.559772 0.900202 0.890314 O\n0.340429 0.900202 0.109686 O\n0.559772 0.659570 0.390314 O\n0.801646 0.732789 0.750000 O\n0.099798 0.440228 0.109686 O\n0.267211 0.068858 0.750000 O\n0.931142 0.198353 0.750000 O\n0.099798 0.440228 0.390314 O\n0.801647 0.068858 0.250000 O\n0.931142 0.732789 0.250000 O\n0.267211 0.198353 0.250000 O\n0.340429 0.900202 0.390314 O\n0.559772 0.900202 0.609686 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Rb",
"Ta",
"Ge",
"O"
],
"chemical_system": "Ge-O-Rb-Ta",
"density": 4.6210487363949735,
"density_atomic": 0.06200568328906683,
"volume": 451.5715094931807,
"volume_molar": 9.712239976334324,
"formula_full": "Rb2 Ta2 Ge6 O18",
"formula_reduced": "RbTa(GeO3)3",
"formula_anonymous": "ABC3D9",
"energy_above_hull": 2.4847670392857144,
"spacegroup": 188
}
]
}