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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-567883
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 14
Number of elements: 3
Element list: ['Ti', 'Co', 'Bi']
Chemical System: Bi-Co-Ti
Density: 8.119448836383835
Atomic Density: 0.05121105765783925
Unit Cell Volume: 273.37845848721537
Molar Volume: 11.759453984013053
Full Formula: Ti8 Co2 Bi4
Reduced Formula: Ti4CoBi2
Formula Anonymous: AB2C4
Spacegroup Number: 140
Spacegroup Symbol: I4/mcm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -97.2952037
Final energy per atom: -6.949657407142857
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.