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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-37091
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 56
  • Number of elements: 3
  • Element list: ['Ba', 'S', 'Sn']
  • Chemical System: Ba-S-Sn
  • Density: 4.01228871308931
  • Atomic Density: 0.0324252664483099
  • Unit Cell Volume: 1727.048260012645
  • Molar Volume: 18.572370930552193
  • Full Formula: Ba16 Sn8 S32
  • Reduced Formula: Ba2SnS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2