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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-768225
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: 14
Number of elements: 3
Element list: ['Cu', 'Ni', 'O']
Chemical System: Cu-Ni-O
Density: 5.935500208956921
Atomic Density: 0.10017131840914055
Unit Cell Volume: 139.76056442442223
Molar Volume: 6.011841369006565
Full Formula: Cu4 Ni2 O8
Reduced Formula: Cu2NiO4
Formula Anonymous: AB2C4
Spacegroup Number: 88
Spacegroup Symbol: I4_1/a
Crystal System: tetragonal
Pointgroup: 4/m

Thermodynamics:

Final energy: -80.2733418
Final energy per atom: -5.733810128571428
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.