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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-1227355
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 4
Number of elements: 2
Element list: ['Bi', 'Au']
Chemical System: Au-Bi
Density: 10.704341127202403
Atomic Density: 0.03129624526375695
Unit Cell Volume: 127.81085929922259
Molar Volume: 19.242374633911833
Full Formula: Bi3 Au1
Reduced Formula: Bi3Au
Formula Anonymous: AB3
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -14.31018644
Final energy per atom: -3.57754661
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.