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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-28752
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: 58
Number of elements: 3
Element list: ['Ta', 'Cu', 'O']
Chemical System: Cu-O-Ta
Density: 8.363505379002003
Atomic Density: 0.08293031883269913
Unit Cell Volume: 699.3823346683047
Molar Volume: 7.261687697293032
Full Formula: Ta14 Cu6 O38
Reduced Formula: Ta7Cu3O19
Formula Anonymous: A3B7C19
Spacegroup Number: 176
Spacegroup Symbol: P6_3/m
Crystal System: hexagonal
Pointgroup: 6/m

Thermodynamics:

Final energy: -546.00606288
Final energy per atom: -9.413897635862067
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.