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  1. Third-Parties
  2. MatprojStructure
  3. mp-559932

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-559932
  • 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: 48
  • Number of elements: 4
  • Element list: ['K', 'Te', 'O', 'F']
  • Chemical System: F-K-O-Te
  • Density: 3.722257232592688
  • Atomic Density: 0.056111689857047904
  • Unit Cell Volume: 855.4367213371487
  • Molar Volume: 10.73241738992751
  • Full Formula: K8 Te8 O8 F24
  • Reduced Formula: KTeOF3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -239.76390004
  • Final energy per atom: -4.9950812508333335
  • 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.