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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-1182935
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 55
Number of elements: 5
Element list: ['Al', 'Cu', 'P', 'H', 'O']
Chemical System: Al-Cu-H-O-P
Density: 2.4772606053919795
Atomic Density: 0.10086941135598476
Unit Cell Volume: 545.2594524012433
Molar Volume: 5.970234860146923
Full Formula: Al6 Cu1 P4 H16 O28
Reduced Formula: Al6CuP4(H4O7)4
Formula Anonymous: AB4C6D16E28
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -349.81979109
Final energy per atom: -6.360359838000001
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.