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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-4450
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: 6
Number of elements: 3
Element list: ['U', 'P', 'S']
Chemical System: P-S-U
Density: 8.867804888707749
Atomic Density: 0.05321378639132254
Unit Cell Volume: 112.75273583949304
Molar Volume: 11.3168807716754
Full Formula: U2 P2 S2
Reduced Formula: UPS
Formula Anonymous: ABC
Spacegroup Number: 129
Spacegroup Symbol: P4/nmm1
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -49.64523185
Final energy per atom: -8.274205308333334
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.