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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-558541
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: 34
Number of elements: 6
Element list: ['H', 'C', 'Se', 'S', 'N', 'Cl']
Chemical System: C-Cl-H-N-S-Se
Density: 1.8235879154762655
Atomic Density: 0.0850166839090837
Unit Cell Volume: 399.9215028941776
Molar Volume: 7.083481127586721
Full Formula: H18 C6 Se2 S2 N4 Cl2
Reduced Formula: H9C3SeSN2Cl
Formula Anonymous: ABCD2E3F9
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -169.94242008999998
Final energy per atom: -4.998306473235294
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.