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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-22421
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['K', 'Al', 'F']
  • Chemical System: Al-F-K
  • Density: 2.572810303703788
  • Atomic Density: 0.061922621118011154
  • Unit Cell Volume: 129.1934975548552
  • Molar Volume: 9.725267844400674
  • Full Formula: K2 Al1 F5
  • Reduced Formula: K2AlF5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm