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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1361351
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Ba', 'Be', 'Mn', 'Se']
  • Chemical System: Ba-Be-Mn-Se
  • Density: 4.739599443685509
  • Atomic Density: 0.044700663209118294
  • Unit Cell Volume: 2147.619142715927
  • Molar Volume: 13.47215080865192
  • Full Formula: Ba12 Mn8 Be28 Se48
  • Reduced Formula: Ba3Mn2Be7Se12
  • Formula Anonymous: A2B3C7D12
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm