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  1. Third-Parties
  2. MatprojStructure
  3. mp-558134

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-558134
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Tl', 'F']
  • Chemical System: F-Tl
  • Density: 7.921891020860189
  • Atomic Density: 0.0427132053754406
  • Unit Cell Volume: 93.64785351136244
  • Molar Volume: 14.099013892932122
  • Full Formula: Tl2 F2
  • Reduced Formula: TlF
  • Formula Anonymous: AB
  • Spacegroup Number: 39
  • Spacegroup Symbol: Aem2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -16.39121819
  • Final energy per atom: -4.0978045475
  • 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.