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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-642930
  • 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', 'Ga', 'S']
  • Chemical System: Ba-Ga-S
  • Density: 4.012046105664269
  • Atomic Density: 0.035783856267259516
  • Unit Cell Volume: 1564.9515128205248
  • Molar Volume: 16.829211237107405
  • Full Formula: Ba16 Ga8 S32
  • Reduced Formula: Ba2GaS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m