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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-721813
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 117
Number of elements: 6
Element list: ['Al', 'H', 'C', 'S', 'N', 'O']
Chemical System: Al-C-H-N-O-S
Density: 1.7541389721300311
Atomic Density: 0.10637950378436437
Unit Cell Volume: 1099.8359255102732
Molar Volume: 5.660997227630548
Full Formula: Al3 H54 C3 S6 N9 O42
Reduced Formula: AlH18CS2N3O14
Formula Anonymous: ABC2D3E14F18
Spacegroup Number: 157
Spacegroup Symbol: P31m
Crystal System: trigonal
Pointgroup: 31m

Thermodynamics:

Final energy: -689.30335811
Final energy per atom: -5.891481693247863
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.