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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-740719
Created at: Sept. 4, 2022, 2:44 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 116
Number of elements: 4
Element list: ['Ba', 'In', 'H', 'O']
Chemical System: Ba-H-In-O
Density: 3.786341799201622
Atomic Density: 0.07818974143517812
Unit Cell Volume: 1483.5705793472641
Molar Volume: 7.70195763467584
Full Formula: Ba12 In8 H48 O48
Reduced Formula: Ba3In2(HO)12
Formula Anonymous: A2B3C12D12
Spacegroup Number: 230
Spacegroup Symbol: Ia-3d
Crystal System: cubic
Pointgroup: m-3m

Thermodynamics:

Final energy: -656.79752089
Final energy per atom: -5.6620475938793104
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.