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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-46918
  • Created at: Sept. 4, 2022, 3:30 p.m.
  • Last updated at: Sept. 4, 2022, 3:30 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ba', 'In', 'Se']
  • Chemical System: Ba-In-Se
  • Density: 5.01773089457216
  • Atomic Density: 0.030978535869569633
  • Unit Cell Volume: 1807.703250914743
  • Molar Volume: 19.439720409496754
  • Full Formula: Ba8 In16 Se32
  • Reduced Formula: Ba(InSe2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm