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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-117302
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 25
  • Number of elements: 3
  • Element list: ['Ba', 'Cu', 'Si']
  • Chemical System: Ba-Cu-Si
  • Density: 3.6426405603000513
  • Atomic Density: 0.034030539611103985
  • Unit Cell Volume: 734.6342516368043
  • Molar Volume: 17.696283481896383
  • Full Formula: Ba8 Cu1 Si16
  • Reduced Formula: Ba8CuSi16
  • Formula Anonymous: AB8C16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1