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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-1147743
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 7
Number of elements: 4
Element list: ['Th', 'Cu', 'N', 'O']
Chemical System: Cu-N-O-Th
Density: 9.741262758930198
Atomic Density: 0.06988066809012697
Unit Cell Volume: 100.17076526761183
Molar Volume: 8.61774926397825
Full Formula: Th2 Cu1 N2 O2
Reduced Formula: Th2Cu(NO)2
Formula Anonymous: AB2C2D2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -60.48897228
Final energy per atom: -8.641281754285714
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.