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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-556622
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 80
Number of elements: 6
Element list: ['Tl', 'Os', 'C', 'Br', 'O', 'F']
Chemical System: Br-C-F-O-Os-Tl
Density: 5.739225251274267
Atomic Density: 0.04095996258783928
Unit Cell Volume: 1953.1267839524694
Molar Volume: 14.702505518859848
Full Formula: Tl16 Os8 C8 Br16 O8 F24
Reduced Formula: Tl2OsCBr2OF3
Formula Anonymous: ABCD2E2F3
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -433.31884038
Final energy per atom: -5.41648550475
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.