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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079426

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-1079426
  • 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: 8
  • Number of elements: 4
  • Element list: ['Tl', 'Si', 'Hg', 'Se']
  • Chemical System: Hg-Se-Si-Tl
  • Density: 6.871395708137712
  • Atomic Density: 0.03472677159163307
  • Unit Cell Volume: 230.36981652298158
  • Molar Volume: 17.341493274459612
  • Full Formula: Tl2 Si1 Hg1 Se4
  • Reduced Formula: Tl2SiHgSe4
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -29.46125019
  • Final energy per atom: -3.68265627375
  • 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.