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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-699429
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 35
Number of elements: 6
Element list: ['V', 'H', 'C', 'S', 'O', 'F']
Chemical System: C-F-H-O-S-V
Density: 1.7555934397957074
Atomic Density: 0.08094011987359204
Unit Cell Volume: 432.41843543920044
Molar Volume: 7.440241958382392
Full Formula: V1 H12 C2 S2 O12 F6
Reduced Formula: VH12C2S2(O2F)6
Formula Anonymous: AB2C2D6E12F12
Spacegroup Number: 12
Spacegroup Symbol: C12/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -202.59995372
Final energy per atom: -5.7885701062857144
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.