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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-554564
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: 120
Number of elements: 4
Element list: ['Ta', 'Bi', 'Br', 'O']
Chemical System: Bi-Br-O-Ta
Density: 5.706418512473721
Atomic Density: 0.02881114023488944
Unit Cell Volume: 4165.055566064808
Molar Volume: 20.90212574338646
Full Formula: Ta16 Bi32 Br56 O16
Reduced Formula: Ta2Bi4Br7O2
Formula Anonymous: A2B2C4D7
Spacegroup Number: 128
Spacegroup Symbol: P4/mnc
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -652.90981383
Final energy per atom: -5.440915115249999
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.