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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-672652
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 29
Number of elements: 3
Element list: ['Ta', 'Co', 'Ge']
Chemical System: Co-Ge-Ta
Density: 11.509982356554143
Atomic Density: 0.07922937808352008
Unit Cell Volume: 366.02584421941935
Molar Volume: 7.600893640300606
Full Formula: Ta6 Co16 Ge7
Reduced Formula: Ta6Co16Ge7
Formula Anonymous: A6B7C16
Spacegroup Number: 225
Spacegroup Symbol: Fm-3m
Crystal System: cubic
Pointgroup: m-3m

Thermodynamics:

Final energy: -226.40467658
Final energy per atom: -7.807057813103448
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.