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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-683598
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 60
Number of elements: 5
Element list: ['P', 'W', 'C', 'Br', 'O']
Chemical System: Br-C-O-P-W
Density: 3.049984455659416
Atomic Density: 0.046337459686896426
Unit Cell Volume: 1294.8487121525816
Molar Volume: 12.996268679145947
Full Formula: P4 W4 C20 Br12 O20
Reduced Formula: PWC5Br3O5
Formula Anonymous: ABC3D5E5
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -422.91635678
Final energy per atom: -7.048605946333334
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.