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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1340871
  • 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: 36
  • Number of elements: 2
  • Element list: ['Ba', 'Sb']
  • Chemical System: Ba-Sb
  • Density: 5.049252259993772
  • Atomic Density: 0.02301178151094971
  • Unit Cell Volume: 1564.4160354499322
  • Molar Volume: 26.16981547966845
  • Full Formula: Ba24 Sb12
  • Reduced Formula: Ba2Sb
  • Formula Anonymous: AB2
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m