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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-18738
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 15
Number of elements: 3
Element list: ['Nd', 'Ni', 'O']
Chemical System: Nd-Ni-O
Density: 7.329751586387385
Atomic Density: 0.07515088780696659
Unit Cell Volume: 199.59844038741323
Molar Volume: 8.013399356596475
Full Formula: Nd4 Ni3 O8
Reduced Formula: Nd4Ni3O8
Formula Anonymous: A3B4C8
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -115.05462887
Final energy per atom: -7.670308591333334
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.