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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223451

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-1223451
  • 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: 6
  • Number of elements: 3
  • Element list: ['K', 'Ce', 'F']
  • Chemical System: Ce-F-K
  • Density: 4.092858047914171
  • Atomic Density: 0.05794749938589451
  • Unit Cell Volume: 103.5420003207336
  • Molar Volume: 10.392408341723716
  • Full Formula: K1 Ce1 F4
  • Reduced Formula: KCeF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -38.18638276
  • Final energy per atom: -6.364397126666667
  • 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.