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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-570700
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: 15
Number of elements: 4
Element list: ['Hf', 'Tl', 'Cu', 'Se']
Chemical System: Cu-Hf-Se-Tl
Density: 7.518090288305372
Atomic Density: 0.039877953034009934
Unit Cell Volume: 376.14769211466904
Molar Volume: 15.10142898975786
Full Formula: Hf3 Tl2 Cu2 Se8
Reduced Formula: Hf3Tl2(CuSe4)2
Formula Anonymous: A2B2C3D8
Spacegroup Number: 12
Spacegroup Symbol: C12/m1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -88.83363204
Final energy per atom: -5.9222421359999995
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.