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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-562537
Created at: Sept. 4, 2022, 2:41 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 26
Number of elements: 3
Element list: ['Ta', 'Ni', 'S']
Chemical System: Ni-S-Ta
Density: 5.450735742709948
Atomic Density: 0.053710313730680186
Unit Cell Volume: 484.0783490927253
Molar Volume: 11.21226137348004
Full Formula: Ta4 Ni6 S16
Reduced Formula: Ta2Ni3S8
Formula Anonymous: A2B3C8
Spacegroup Number: 55
Spacegroup Symbol: Pbam
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -175.51290204
Final energy per atom: -6.750496232307692
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.