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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1364339
  • 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: 60
  • Number of elements: 3
  • Element list: ['Ba', 'S', 'Sb']
  • Chemical System: Ba-S-Sb
  • Density: 4.25440575297152
  • Atomic Density: 0.03484504216581891
  • Unit Cell Volume: 1721.9092378902826
  • Molar Volume: 17.28263301086601
  • Full Formula: Ba10 Sb16 S34
  • Reduced Formula: Ba5Sb8S17
  • Formula Anonymous: A5B8C17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m