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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13085
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Au', 'Br', 'F']
  • Chemical System: Au-Br-F
  • Density: 5.121614325223917
  • Atomic Density: 0.06312849494164906
  • Unit Cell Volume: 253.45131409816
  • Molar Volume: 9.539496808163074
  • Full Formula: Au2 Br2 F12
  • Reduced Formula: AuBrF6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2