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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-28590
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: 72
Number of elements: 3
Element list: ['Hg', 'As', 'I']
Chemical System: As-Hg-I
Density: 7.366288834471048
Atomic Density: 0.029952920633045478
Unit Cell Volume: 2403.7722692245975
Molar Volume: 20.105354111465473
Full Formula: Hg32 As16 I24
Reduced Formula: Hg4As2I3
Formula Anonymous: A2B3C4
Spacegroup Number: 205
Spacegroup Symbol: Pa-3
Crystal System: cubic
Pointgroup: m-3

Thermodynamics:

Final energy: -141.87417455
Final energy per atom: -1.9704746465277776
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.