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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-558754
Created at: Sept. 4, 2022, 2:48 p.m.
Last updated at: Nov. 28, 2021, 1:39 a.m.
Input Source: Materials Project

Structure:

Number of sites: 78
Number of elements: 5
Element list: ['Sb', 'Os', 'C', 'O', 'F']
Chemical System: C-F-O-Os-Sb
Density: 3.2701068116243155
Atomic Density: 0.060795650386987664
Unit Cell Volume: 1282.9865212971658
Molar Volume: 9.905545415941374
Full Formula: Sb8 Os2 C12 O12 F44
Reduced Formula: Sb4OsC6(O3F11)2
Formula Anonymous: AB4C6D6E22
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -475.59689442
Final energy per atom: -6.097396082307692
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.