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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-1813048
Created at: Sept. 4, 2022, 2:48 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 23
Number of elements: 5
Element list: ['Ba', 'Mg', 'Tl', 'Cu', 'O']
Chemical System: Ba-Cu-Mg-O-Tl
Density: 6.6460069014099625
Atomic Density: 0.07655084043368103
Unit Cell Volume: 300.4539188557413
Molar Volume: 7.866851266273444
Full Formula: Ba2 Mg3 Tl2 Cu4 O12
Reduced Formula: Ba2Mg3Tl2(CuO3)4
Formula Anonymous: A2B2C3D4E12
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -129.58067599999998
Final energy per atom: -5.633942434782608
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.