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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-555419
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: 80
Number of elements: 5
Element list: ['Te', 'As', 'C', 'N', 'F']
Chemical System: As-C-F-N-Te
Density: 3.723185138591277
Atomic Density: 0.05607838706249185
Unit Cell Volume: 1426.5745537732873
Molar Volume: 10.738790959321157
Full Formula: Te12 As8 C6 N6 F48
Reduced Formula: Te6As4C3(NF8)3
Formula Anonymous: A3B3C4D6E24
Spacegroup Number: 12
Spacegroup Symbol: C12/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -409.84804927
Final energy per atom: -5.123100615875
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.