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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-754364
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: 3
Element list: ['Y', 'Cu', 'O']
Chemical System: Cu-O-Y
Density: 5.710752019177434
Atomic Density: 0.07883821489844078
Unit Cell Volume: 88.78942793183971
Molar Volume: 7.638606185791635
Full Formula: Y2 Cu1 O4
Reduced Formula: Y2CuO4
Formula Anonymous: AB2C4
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -58.20618074
Final energy per atom: -8.315168677142857
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.