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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120037
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Y', 'Br', 'O']
  • Chemical System: Br-O-Y
  • Density: 3.8928466009073883
  • Atomic Density: 0.03805535198457869
  • Unit Cell Volume: 78.8325384880345
  • Molar Volume: 15.824688108102045
  • Full Formula: Y1 Br1 O1
  • Reduced Formula: YBrO
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2