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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85998
  • 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: 8
  • Number of elements: 4
  • Element list: ['Au', 'C', 'Cl', 'O']
  • Chemical System: Au-C-Cl-O
  • Density: 5.134452200260955
  • Atomic Density: 0.047491353815219274
  • Unit Cell Volume: 168.45171504536657
  • Molar Volume: 12.680499240832589
  • Full Formula: Au2 C2 Cl2 O2
  • Reduced Formula: AuCClO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm