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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-570053
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: 76
Number of elements: 4
Element list: ['Bi', 'As', 'Au', 'Cl']
Chemical System: As-Au-Bi-Cl
Density: 6.523073147792586
Atomic Density: 0.03298442941412917
Unit Cell Volume: 2304.117468451485
Molar Volume: 18.257525950775925
Full Formula: Bi32 As4 Au4 Cl36
Reduced Formula: Bi8AsAuCl9
Formula Anonymous: ABC8D9
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -291.68363245
Final energy per atom: -3.837942532236842
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.