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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-1147587
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 7
Number of elements: 4
Element list: ['Ce', 'Cu', 'N', 'O']
Chemical System: Ce-Cu-N-O
Density: 7.327563518959453
Atomic Density: 0.07649847189947903
Unit Cell Volume: 91.50509580371985
Molar Volume: 7.87223667410409
Full Formula: Ce2 Cu1 N2 O2
Reduced Formula: Ce2Cu(NO)2
Formula Anonymous: AB2C2D2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -57.47837436
Final energy per atom: -8.211196337142857
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.