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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-558518
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 5
Number of elements: 3
Element list: ['K', 'Ni', 'S']
Chemical System: K-Ni-S
Density: 4.018926765798113
Atomic Density: 0.05485241648493616
Unit Cell Volume: 91.1536869368941
Molar Volume: 10.978806670538992
Full Formula: K1 Ni2 S2
Reduced Formula: K(NiS)2
Formula Anonymous: AB2C2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -24.949315590000005
Final energy per atom: -4.989863118000001
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.