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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-615682
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 14
Number of elements: 5
Element list: ['Ba', 'La', 'Ta', 'Cu', 'O']
Chemical System: Ba-Cu-La-O-Ta
Density: 7.209720552937877
Atomic Density: 0.07154604844756329
Unit Cell Volume: 195.67817236280658
Molar Volume: 8.417153554488307
Full Formula: Ba2 La1 Ta1 Cu2 O8
Reduced Formula: Ba2LaTa(CuO4)2
Formula Anonymous: ABC2D2E8
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -107.30208044
Final energy per atom: -7.664434317142857
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.