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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-1214799
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 56
Number of elements: 5
Element list: ['Ba', 'H', 'Se', 'S', 'O']
Chemical System: Ba-H-O-S-Se
Density: 2.3356504321455858
Atomic Density: 0.04449542204324549
Unit Cell Volume: 1258.5564408305445
Molar Volume: 13.534292930510983
Full Formula: Ba4 H8 Se4 S16 O24
Reduced Formula: BaH2Se(S2O3)2
Formula Anonymous: ABC2D4E6
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -294.71480405
Final energy per atom: -5.262764358035715
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.