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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-62179
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 64
  • Number of elements: 5
  • Element list: ['K', 'Al', 'H', 'O', 'F']
  • Chemical System: Al-F-H-K-O
  • Density: 2.2350051564128695
  • Atomic Density: 0.09873258336773105
  • Unit Cell Volume: 648.2155922288694
  • Molar Volume: 6.099446155045334
  • Full Formula: K4 Al4 H24 O8 F24
  • Reduced Formula: KAlH6(OF3)2
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3