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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30512
  • 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: 8
  • Number of elements: 3
  • Element list: ['Au', 'Br', 'O']
  • Chemical System: Au-Br-O
  • Density: 6.572868499608891
  • Atomic Density: 0.05126146298475288
  • Unit Cell Volume: 156.06265475449865
  • Molar Volume: 11.747890928885926
  • Full Formula: Au2 Br2 O4
  • Reduced Formula: AuBrO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 20
  • Spacegroup Symbol: C222_1
  • Crystal System: orthorhombic
  • Pointgroup: 222