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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112526
  • 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: 18
  • Number of elements: 4
  • Element list: ['K', 'Ti', 'O', 'F']
  • Chemical System: F-K-O-Ti
  • Density: 2.904804743674384
  • Atomic Density: 0.06726521809522727
  • Unit Cell Volume: 267.59743757193246
  • Molar Volume: 8.952830200408277
  • Full Formula: K4 Ti2 O4 F8
  • Reduced Formula: K2Ti(OF2)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm