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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-1197279
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 264
Number of elements: 6
Element list: ['Hg', 'H', 'C', 'S', 'N', 'O']
Chemical System: C-H-Hg-N-O-S
Density: 1.9305714486618288
Atomic Density: 0.07479485507339195
Unit Cell Volume: 3529.654542962237
Molar Volume: 8.051544125716688
Full Formula: Hg8 H96 C96 S16 N16 O32
Reduced Formula: HgH12C12S2(NO2)2
Formula Anonymous: AB2C2D4E12F12
Spacegroup Number: 142
Spacegroup Symbol: I4_1/acd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -1655.33161996
Final energy per atom: -6.270195530151515
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.