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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-1195167
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 70
Number of elements: 5
Element list: ['Ba', 'In', 'P', 'H', 'O']
Chemical System: Ba-H-In-O-P
Density: 3.6078092401753854
Atomic Density: 0.06780545349150516
Unit Cell Volume: 1032.365339297816
Molar Volume: 8.881499127138012
Full Formula: Ba6 In4 P12 H12 O36
Reduced Formula: Ba3In2P6(HO3)6
Formula Anonymous: A2B3C6D6E18
Spacegroup Number: 148
Spacegroup Symbol: R-3H
Crystal System: trigonal
Pointgroup: -3

Thermodynamics:

Final energy: -471.46476584
Final energy per atom: -6.735210940571428
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.