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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-775365
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 90
Number of elements: 5
Element list: ['Al', 'H', 'C', 'Cl', 'O']
Chemical System: Al-C-Cl-H-O
Density: 1.5812985518886653
Atomic Density: 0.05642197310416303
Unit Cell Volume: 1595.1232303387746
Molar Volume: 10.67339624738445
Full Formula: Al12 H32 C10 Cl24 O12
Reduced Formula: Al6H16C5(Cl2O)6
Formula Anonymous: A5B6C6D12E16
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -471.40404382
Final energy per atom: -5.237822709111112
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.