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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-558725
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 36
Number of elements: 4
Element list: ['Ba', 'Ru', 'Br', 'O']
Chemical System: Ba-Br-O-Ru
Density: 5.004769074426473
Atomic Density: 0.04549050973809337
Unit Cell Volume: 791.3738537392977
Molar Volume: 13.238235391671395
Full Formula: Ba10 Ru4 Br4 O18
Reduced Formula: Ba5Ru2Br2O9
Formula Anonymous: A2B2C5D9
Spacegroup Number: 194
Spacegroup Symbol: P6_3/mmc
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -240.37784935
Final energy per atom: -6.677162481944444
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.