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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-707249
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: 78
Number of elements: 5
Element list: ['H', 'C', 'S', 'N', 'O']
Chemical System: C-H-N-O-S
Density: 1.216515841706898
Atomic Density: 0.11692761622584427
Unit Cell Volume: 667.0793651462452
Molar Volume: 5.150315173079649
Full Formula: H48 C16 S2 N4 O8
Reduced Formula: H24C8S(NO2)2
Formula Anonymous: AB2C4D8E24
Spacegroup Number: 137
Spacegroup Symbol: P4_2/nmc
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -424.72665163
Final energy per atom: -5.445213482435897
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.