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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-572601
Created at: Sept. 4, 2022, 2:43 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 60
Number of elements: 7
Element list: ['Sb', 'P', 'C', 'S', 'N', 'Cl', 'O']
Chemical System: C-Cl-N-O-P-S-Sb
Density: 1.9526264177048713
Atomic Density: 0.03925426572080597
Unit Cell Volume: 1528.4963022043783
Molar Volume: 15.34136647169044
Full Formula: Sb4 P4 C12 S12 N12 Cl12 O4
Reduced Formula: SbPC3S3N3Cl3O
Formula Anonymous: ABCD3E3F3G3
Spacegroup Number: 217
Spacegroup Symbol: I-43m
Crystal System: cubic
Pointgroup: -43m

Thermodynamics:

Final energy: -378.66018766
Final energy per atom: -6.311003127666667
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.