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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-30523
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 32
Number of elements: 2
Element list: ['Ta', 'As']
Chemical System: As-Ta
Density: 14.713522010260014
Atomic Density: 0.05737253889633843
Unit Cell Volume: 557.7581298575279
Molar Volume: 10.496556150113726
Full Formula: Ta24 As8
Reduced Formula: Ta3As
Formula Anonymous: AB3
Spacegroup Number: 15
Spacegroup Symbol: C12/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -332.14829821
Final energy per atom: -10.3796343190625
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.