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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-574279
Created at: Sept. 4, 2022, 2:44 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 26
Number of elements: 3
Element list: ['Tl', 'In', 'Se']
Chemical System: In-Se-Tl
Density: 6.212954374531213
Atomic Density: 0.036538548931518096
Unit Cell Volume: 711.5772454108718
Molar Volume: 16.481608974912824
Full Formula: Tl2 In10 Se14
Reduced Formula: TlIn5Se7
Formula Anonymous: AB5C7
Spacegroup Number: 11
Spacegroup Symbol: P12_1/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -100.70562995
Final energy per atom: -3.8732934596153847
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.