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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-3732
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 8
Number of elements: 3
Element list: ['Ti', 'C', 'S']
Chemical System: C-S-Ti
Density: 4.634878183074557
Atomic Density: 0.07985680202038567
Unit Cell Volume: 100.17931845001479
Molar Volume: 7.541174461835676
Full Formula: Ti4 C2 S2
Reduced Formula: Ti2CS
Formula Anonymous: ABC2
Spacegroup Number: 194
Spacegroup Symbol: P6_3/mmc
Crystal System: hexagonal
Pointgroup: 6/mmm

Thermodynamics:

Final energy: -69.33351289
Final energy per atom: -8.66668911125
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.