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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1748411
  • Created at: Sept. 4, 2022, 4:02 p.m.
  • Last updated at: Sept. 4, 2022, 4:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ba', 'F', 'Hf']
  • Chemical System: Ba-F-Hf
  • Density: 6.647034313594449
  • Atomic Density: 0.07450662691929456
  • Unit Cell Volume: 107.37299929931851
  • Molar Volume: 8.082691445048468
  • Full Formula: Ba1 Hf1 F6
  • Reduced Formula: BaHfF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3