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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-7918
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 6
Number of elements: 3
Element list: ['Hf', 'Ge', 'S']
Chemical System: Ge-Hf-S
Density: 8.927945804216368
Atomic Density: 0.05695582162385197
Unit Cell Volume: 105.34480635930848
Molar Volume: 10.573354203844978
Full Formula: Hf2 Ge2 S2
Reduced Formula: HfGeS
Formula Anonymous: ABC
Spacegroup Number: 129
Spacegroup Symbol: P4/nmm1
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -44.75224924
Final energy per atom: -7.458708206666667
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.