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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1443438
  • Created at: Sept. 4, 2022, 3:50 p.m.
  • Last updated at: Sept. 4, 2022, 3:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ba', 'S']
  • Chemical System: Ba-S
  • Density: 1.3350819445125781
  • Atomic Density: 0.009492834843165822
  • Unit Cell Volume: 421.3704405570398
  • Molar Volume: 63.43880262844266
  • Full Formula: Ba2 S2
  • Reduced Formula: BaS
  • Formula Anonymous: AB
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m