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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-34405
  • 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: 22
  • Number of elements: 4
  • Element list: ['K', 'Te', 'O', 'F']
  • Chemical System: F-K-O-Te
  • Density: 4.949237235967062
  • Atomic Density: 0.06106523521071681
  • Unit Cell Volume: 360.2704537874121
  • Molar Volume: 9.86181538353123
  • Full Formula: K2 Te6 O12 F2
  • Reduced Formula: KTe3O6F
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3