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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1443444
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ba', 'Se']
  • Chemical System: Ba-Se
  • Density: 1.5722804295546011
  • Atomic Density: 0.008755490680663362
  • Unit Cell Volume: 456.85617698549584
  • Molar Volume: 68.78130512205321
  • Full Formula: Ba2 Se2
  • Reduced Formula: BaSe
  • Formula Anonymous: AB
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m