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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-39479
  • 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: 18
  • Number of elements: 4
  • Element list: ['K', 'Al', 'O', 'F']
  • Chemical System: Al-F-K-O
  • Density: 2.557186300132983
  • Atomic Density: 0.063531811649079
  • Unit Cell Volume: 283.32263054961913
  • Molar Volume: 9.478937564796013
  • Full Formula: K4 Al4 O6 F4
  • Reduced Formula: K2Al2O3F2
  • Formula Anonymous: A2B2C2D3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m