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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-56004
  • 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', 'Ga', 'Sb']
  • Chemical System: Ba-Ga-Sb
  • Density: 5.0924590626553705
  • Atomic Density: 0.02534552448489279
  • Unit Cell Volume: 2209.4630566188844
  • Molar Volume: 23.76017416246209
  • Full Formula: Ba24 Ga8 Sb24
  • Reduced Formula: Ba3GaSb3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm