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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117819
  • 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: 4
  • Number of elements: 3
  • Element list: ['Y', 'Br', 'O']
  • Chemical System: Br-O-Y
  • Density: 4.952927926975781
  • Atomic Density: 0.05941423172894357
  • Unit Cell Volume: 67.32393710396839
  • Molar Volume: 10.13585564393711
  • Full Formula: Y1 Br1 O2
  • Reduced Formula: YBrO2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m