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  1. Third-Parties
  2. MatprojStructure
  3. mp-632812

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-632812
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['K', 'H', 'F']
  • Chemical System: F-H-K
  • Density: 1.7495378573814933
  • Atomic Density: 0.07628008172814575
  • Unit Cell Volume: 262.19164357057076
  • Molar Volume: 7.894774918388629
  • Full Formula: K2 H8 F10
  • Reduced Formula: KH4F5
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -90.03861379
  • Final energy per atom: -4.5019306895
  • 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.