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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-755367
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 10
Number of elements: 4
Element list: ['Li', 'Ta', 'Cu', 'O']
Chemical System: Cu-Li-O-Ta
Density: 7.857685175658986
Atomic Density: 0.08955706389316442
Unit Cell Volume: 111.66065037515443
Molar Volume: 6.724361539123268
Full Formula: Li1 Ta2 Cu1 O6
Reduced Formula: LiTa2CuO6
Formula Anonymous: ABC2D6
Spacegroup Number: 155
Spacegroup Symbol: R32H
Crystal System: trigonal
Pointgroup: 32

Thermodynamics:

Final energy: -87.07889836999999
Final energy per atom: -8.707889837
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.