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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22558
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['K', 'Al', 'F']
  • Chemical System: Al-F-K
  • Density: 2.866115817542314
  • Atomic Density: 0.07289251886366306
  • Unit Cell Volume: 82.3129738625482
  • Molar Volume: 8.261671916241104
  • Full Formula: K1 Al1 F4
  • Reduced Formula: KAlF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm