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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-683936
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 88
Number of elements: 5
Element list: ['Ba', 'La', 'Ge', 'Sb', 'Se']
Chemical System: Ba-Ge-La-Sb-Se
Density: 5.041682958088773
Atomic Density: 0.032513948787058426
Unit Cell Volume: 2706.5306824567174
Molar Volume: 18.52171447842411
Full Formula: Ba16 La4 Ge12 Sb4 Se52
Reduced Formula: Ba4LaGe3SbSe13
Formula Anonymous: ABC3D4E13
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -431.32316622
Final energy per atom: -4.901399616136364
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.