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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-1198862
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 52
Number of elements: 6
Element list: ['Zn', 'H', 'C', 'S', 'N', 'O']
Chemical System: C-H-N-O-S-Zn
Density: 1.9296793098872127
Atomic Density: 0.0878974008968412
Unit Cell Volume: 591.5988353401783
Molar Volume: 6.8513297305204155
Full Formula: Zn2 H20 C4 S6 N12 O8
Reduced Formula: ZnH10C2S3(N3O2)2
Formula Anonymous: AB2C3D4E6F10
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -305.59454709
Final energy per atom: -5.876818213269231
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.