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"volume_molar": 8.711566857856818,
"formula_full": "Ba3 Nb6 Si4 O26",
"formula_reduced": "Ba3Nb6(Si2O13)2",
"formula_anonymous": "A3B4C6D26",
"energy_above_hull": 3.496494607948718,
"spacegroup": 189
},
{
"id": "jvasp-15734",
"created_at": "2022-09-04T14:35:54.083828Z",
"updated_at": "2022-09-04T14:35:54.083855Z",
"structure_string": "Ti4 Si4\n1.0\n3.651049 -0.000000 0.000000\n-0.000000 5.025329 0.000000\n0.000000 0.000000 6.574247\nTi Si\n4 4\ndirect\n0.250000 0.371517 0.675953 Ti\n0.750000 0.628483 0.324047 Ti\n0.750000 0.871517 0.824047 Ti\n0.250000 0.128483 0.175953 Ti\n0.250000 0.852788 0.545182 Si\n0.750000 0.147213 0.454818 Si\n0.750000 0.352788 0.954818 Si\n0.250000 0.647213 0.045182 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ti",
"Si"
],
"chemical_system": "Si-Ti",
"density": 4.182375137124281,
"density_atomic": 0.06632264058613149,
"volume": 120.62245907731324,
"volume_molar": 9.080067842261501,
"formula_full": "Ti4 Si4",
"formula_reduced": "TiSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.970268466666666,
"spacegroup": 62
}
]
}