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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-24273
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Cr', 'F']
  • Chemical System: Ba-Cr-F
  • Density: 4.477046326448029
  • Atomic Density: 0.07111164249411599
  • Unit Cell Volume: 112.49915934176245
  • Molar Volume: 8.468572161722031
  • Full Formula: Ba1 Cr1 F6
  • Reduced Formula: BaCrF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m