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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-93451
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['K', 'B', 'F']
  • Chemical System: B-F-K
  • Density: 2.2938512810725165
  • Atomic Density: 0.0658311789363088
  • Unit Cell Volume: 91.14222313723043
  • Molar Volume: 9.14785494852884
  • Full Formula: K1 B1 F4
  • Reduced Formula: KBF4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m