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  1. Third-Parties
  2. MatprojStructure
  3. mp-27398

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-27398
  • 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: 24
  • Number of elements: 2
  • Element list: ['Tl', 'Br']
  • Chemical System: Br-Tl
  • Density: 5.03975748301176
  • Atomic Density: 0.025000703451275592
  • Unit Cell Volume: 959.9729882310758
  • Molar Volume: 24.08788525385567
  • Full Formula: Tl8 Br16
  • Reduced Formula: TlBr2
  • Formula Anonymous: AB2
  • Spacegroup Number: 52
  • Spacegroup Symbol: Pnna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -69.38317895
  • Final energy per atom: -2.8909657895833334
  • 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.