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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-676665
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: 40
Number of elements: 5
Element list: ['Ba', 'Ta', 'Ti', 'Zn', 'O']
Chemical System: Ba-O-Ta-Ti-Zn
Density: 7.257434674253898
Atomic Density: 0.07185578140778669
Unit Cell Volume: 556.6705867826716
Molar Volume: 8.380871576392611
Full Formula: Ba8 Ta4 Ti2 Zn2 O24
Reduced Formula: Ba4Ta2TiZnO12
Formula Anonymous: ABC2D4E12
Spacegroup Number: 141
Spacegroup Symbol: I4_1/amd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -330.92724851
Final energy per atom: -8.27318121275
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.