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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-1095503
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: 12
Number of elements: 4
Element list: ['As', 'I', 'N', 'O']
Chemical System: As-I-N-O
Density: 3.5626022451379766
Atomic Density: 0.04797927684396558
Unit Cell Volume: 250.10797972269265
Molar Volume: 12.551545492410673
Full Formula: As4 I1 N1 O6
Reduced Formula: As4INO6
Formula Anonymous: ABC4D6
Spacegroup Number: 191
Spacegroup Symbol: P6/mmm
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -68.22189105
Final energy per atom: -5.6851575875
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.