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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-669542
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: 54
Number of elements: 3
Element list: ['Ba', 'Cu', 'Ge']
Chemical System: Ba-Cu-Ge
Density: 5.749944716103405
Atomic Density: 0.04263733073840293
Unit Cell Volume: 1266.4957928842118
Molar Volume: 14.124103586475055
Full Formula: Ba8 Cu6 Ge40
Reduced Formula: Ba4Cu3Ge20
Formula Anonymous: A3B4C20
Spacegroup Number: 223
Spacegroup Symbol: Pm-3n
Crystal System: cubic
Pointgroup: m-3m

Thermodynamics:

Final energy: -235.77811876
Final energy per atom: -4.366261458518519
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.