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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-552802
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 8
Number of elements: 4
Element list: ['Er', 'U', 'S', 'O']
Chemical System: Er-O-S-U
Density: 8.433417205759381
Atomic Density: 0.05266263271236874
Unit Cell Volume: 151.91036961053905
Molar Volume: 11.435320358728656
Full Formula: Er1 U2 S3 O2
Reduced Formula: ErU2S3O2
Formula Anonymous: AB2C2D3
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -71.00067132999999
Final energy per atom: -8.875083916249999
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.