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  1. Third-Parties
  2. MatprojStructure
  3. mp-612946

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-612946
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['K', 'Te', 'O', 'F']
  • Chemical System: F-K-O-Te
  • Density: 3.1900191424627775
  • Atomic Density: 0.048088391955447715
  • Unit Cell Volume: 249.54047145343512
  • Molar Volume: 12.5230653700779
  • Full Formula: K2 Te2 O2 F6
  • Reduced Formula: KTeOF3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -58.65300367
  • Final energy per atom: -4.887750305833333
  • 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.