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  1. Third-Parties
  2. MatprojStructure
  3. mp-998759

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-998759
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Tl', 'Cd', 'F']
  • Chemical System: Cd-F-Tl
  • Density: 6.944759839315342
  • Atomic Density: 0.05594367984799763
  • Unit Cell Volume: 715.0048067749999
  • Molar Volume: 10.764648976189129
  • Full Formula: Tl8 Cd8 F24
  • Reduced Formula: TlCdF3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 55
  • Spacegroup Symbol: Pbam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -164.13861009
  • Final energy per atom: -4.1034652522499995
  • 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.