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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87076
  • 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: 16
  • Number of elements: 3
  • Element list: ['Tb', 'Ba', 'F']
  • Chemical System: Ba-F-Tb
  • Density: 5.755409931561017
  • Atomic Density: 0.0675890304054434
  • Unit Cell Volume: 236.7248043657601
  • Molar Volume: 8.909938082962936
  • Full Formula: Ba2 Tb2 F12
  • Reduced Formula: BaTbF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 67
  • Spacegroup Symbol: Cmme
  • Crystal System: orthorhombic
  • Pointgroup: mmm