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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-771951
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 34
Number of elements: 3
Element list: ['Ba', 'La', 'Br']
Chemical System: Ba-Br-La
Density: 4.694557524276592
Atomic Density: 0.02915202126287029
Unit Cell Volume: 1166.2999177111735
Molar Volume: 20.65771256715619
Full Formula: Ba6 La4 Br24
Reduced Formula: Ba3La2Br12
Formula Anonymous: A2B3C12
Spacegroup Number: 127
Spacegroup Symbol: P4/mbm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -154.44360837
Final energy per atom: -4.542459069705882
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.