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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-1194658
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 100
Number of elements: 5
Element list: ['Ba', 'Ge', 'B', 'Cl', 'O']
Chemical System: B-Ba-Cl-Ge-O
Density: 4.966444210811291
Atomic Density: 0.05708593242678864
Unit Cell Volume: 1751.7450578257199
Molar Volume: 10.549255313860824
Full Formula: Ba28 Ge4 B12 Cl4 O52
Reduced Formula: Ba7GeB3ClO13
Formula Anonymous: ABC3D7E13
Spacegroup Number: 55
Spacegroup Symbol: Pbam
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -723.7738498000001
Final energy per atom: -7.2377384980000015
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.