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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-61527
  • 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: 38
  • Number of elements: 5
  • Element list: ['K', 'Nb', 'Al', 'O', 'F']
  • Chemical System: Al-F-K-Nb-O
  • Density: 5.154337506433203
  • Atomic Density: 0.07506624413818541
  • Unit Cell Volume: 506.2195456328925
  • Molar Volume: 8.022435155959268
  • Full Formula: K4 Nb11 Al2 O20 F1
  • Reduced Formula: K4Nb11Al2O20F
  • Formula Anonymous: AB2C4D11E20
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm