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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-30383
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 3
Number of elements: 2
Element list: ['Hf', 'Au']
Chemical System: Au-Hf
Density: 14.868838400454697
Atomic Density: 0.048493253407717374
Unit Cell Volume: 61.864275732891336
Molar Volume: 12.418512549297457
Full Formula: Hf2 Au1
Reduced Formula: Hf2Au
Formula Anonymous: AB2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -24.50056778
Final energy per atom: -8.166855926666667
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.