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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-1248231
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: 112
Number of elements: 6
Element list: ['Al', 'Si', 'H', 'C', 'N', 'Cl']
Chemical System: Al-C-Cl-H-N-Si
Density: 1.3904810539137955
Atomic Density: 0.0423844883776666
Unit Cell Volume: 2642.47615783456
Molar Volume: 14.208360158414015
Full Formula: Al8 Si16 H8 C48 N8 Cl24
Reduced Formula: AlSi2HC6NCl3
Formula Anonymous: ABCD2E3F6
Spacegroup Number: 61
Spacegroup Symbol: Pbca
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -691.19085684
Final energy per atom: -6.171346936071429
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.