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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1730650
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Br', 'In', 'O']
  • Chemical System: Ba-Br-In-O
  • Density: 6.56827587479956
  • Atomic Density: 0.06996288089447676
  • Unit Cell Volume: 142.9329363249456
  • Molar Volume: 8.607622617889392
  • Full Formula: Ba2 In1 Br1 O6
  • Reduced Formula: Ba2InBrO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m