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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-685120
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 40
Number of elements: 2
Element list: ['Al', 'Se']
Chemical System: Al-Se
Density: 4.280844654738498
Atomic Density: 0.04431917262673943
Unit Cell Volume: 902.5439246550035
Molar Volume: 13.588116390888162
Full Formula: Al16 Se24
Reduced Formula: Al2Se3
Formula Anonymous: A2B3
Spacegroup Number: 141
Spacegroup Symbol: I4_1/amd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -187.64556521
Final energy per atom: -4.69113913025
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.