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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-650799
  • Created at: Sept. 4, 2022, 3:32 p.m.
  • Last updated at: Sept. 4, 2022, 3:32 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 42
  • Number of elements: 2
  • Element list: ['Ba', 'Sb']
  • Chemical System: Ba-Sb
  • Density: 5.326092476124835
  • Atomic Density: 0.024688981428569273
  • Unit Cell Volume: 1701.1637406555376
  • Molar Volume: 24.39201786198996
  • Full Formula: Ba22 Sb20
  • Reduced Formula: Ba11Sb10
  • Formula Anonymous: A10B11
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm