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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-1104089
Created at: Sept. 4, 2022, 2:44 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 14
Number of elements: 3
Element list: ['Hf', 'Ni', 'As']
Chemical System: As-Hf-Ni
Density: 10.054434847446263
Atomic Density: 0.07526894605809507
Unit Cell Volume: 185.99968158441246
Molar Volume: 8.000830455832226
Full Formula: Hf2 Ni8 As4
Reduced Formula: Hf(Ni2As)2
Formula Anonymous: AB2C4
Spacegroup Number: 136
Spacegroup Symbol: P4_2/mnm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -91.72877201
Final energy per atom: -6.552055143571429
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.