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  1. Third-Parties
  2. MatprojStructure
  3. mp-23846

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-23846
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['K', 'H', 'F']
  • Chemical System: F-H-K
  • Density: 2.3038404898996676
  • Atomic Density: 0.07105511174303046
  • Unit Cell Volume: 112.58866257127083
  • Molar Volume: 8.475309674804206
  • Full Formula: K2 H2 F4
  • Reduced Formula: KHF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -36.65124734
  • Final energy per atom: -4.5814059175
  • 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.