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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30508
  • 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: 4
  • Number of elements: 3
  • Element list: ['Cu', 'Br', 'O']
  • Chemical System: Br-Cu-O
  • Density: 5.290022252117821
  • Atomic Density: 0.07263032551216064
  • Unit Cell Volume: 55.07341419432675
  • Molar Volume: 8.291496310300442
  • Full Formula: Cu1 Br1 O2
  • Reduced Formula: CuBrO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m