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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33370
  • 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: 40
  • Number of elements: 5
  • Element list: ['Cu', 'Si', 'H', 'O', 'F']
  • Chemical System: Cu-F-H-O-Si
  • Density: 2.553601344190086
  • Atomic Density: 0.11076043239267647
  • Unit Cell Volume: 361.1397963686969
  • Molar Volume: 5.437086719425074
  • Full Formula: Cu2 Si2 H16 O8 F12
  • Reduced Formula: CuSiH8(O2F3)2
  • Formula Anonymous: ABC4D6E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m