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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-27342
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Fe', 'Ga', 'S']
  • Chemical System: Fe-Ga-S
  • Density: 3.7950601870781755
  • Atomic Density: 0.04944528266952748
  • Unit Cell Volume: 141.5706336797628
  • Molar Volume: 12.179404050027548
  • Full Formula: Ga2 Fe1 S4
  • Reduced Formula: Ga2FeS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1