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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-571341
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 72
Number of elements: 4
Element list: ['In', 'Hg', 'As', 'Cl']
Chemical System: As-Cl-Hg-In
Density: 6.436632293467907
Atomic Density: 0.03738697594556203
Unit Cell Volume: 1925.804325678463
Molar Volume: 16.107589896461928
Full Formula: In4 Hg24 As16 Cl28
Reduced Formula: InHg6As4Cl7
Formula Anonymous: AB4C6D7
Spacegroup Number: 205
Spacegroup Symbol: Pa-3
Crystal System: cubic
Pointgroup: m-3

Thermodynamics:

Final energy: -197.93222168
Final energy per atom: -2.7490586344444443
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.