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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-541094
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: 40
Number of elements: 5
Element list: ['Ta', 'Hg', 'S', 'O', 'F']
Chemical System: F-Hg-O-S-Ta
Density: 5.837491082153575
Atomic Density: 0.05625965337170488
Unit Cell Volume: 710.9890943643375
Molar Volume: 10.704191012717407
Full Formula: Ta4 Hg6 S2 O8 F20
Reduced Formula: Ta2Hg3S(O2F5)2
Formula Anonymous: AB2C3D4E10
Spacegroup Number: 43
Spacegroup Symbol: Fdd2
Crystal System: orthorhombic
Pointgroup: mm2

Thermodynamics:

Final energy: -241.52429726000005
Final energy per atom: -6.038107431500001
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.