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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-1224540
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: 16
Number of elements: 3
Element list: ['Hf', 'Ga', 'Ni']
Chemical System: Ga-Hf-Ni
Density: 9.62954979709613
Atomic Density: 0.08496934372387858
Unit Cell Volume: 188.3032079427911
Molar Volume: 7.0874276486939864
Full Formula: Hf1 Ga3 Ni12
Reduced Formula: Hf(GaNi4)3
Formula Anonymous: AB3C12
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -94.03187918
Final energy per atom: -5.87699244875
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.