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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-1197122
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 82
Number of elements: 6
Element list: ['U', 'H', 'C', 'N', 'Cl', 'O']
Chemical System: C-Cl-H-N-O-U
Density: 1.7439429688514394
Atomic Density: 0.07687387442153593
Unit Cell Volume: 1066.682284677823
Molar Volume: 7.833793737229563
Full Formula: U2 H48 C16 N4 Cl8 O4
Reduced Formula: UH24C8N2(Cl2O)2
Formula Anonymous: AB2C2D4E8F24
Spacegroup Number: 136
Spacegroup Symbol: P4_2/mnm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -452.31215899
Final energy per atom: -5.516001938902439
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.