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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-687612
  • Created at: Sept. 4, 2022, 3:31 p.m.
  • Last updated at: Sept. 4, 2022, 3:31 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 64
  • Number of elements: 2
  • Element list: ['As', 'S']
  • Chemical System: As-S
  • Density: 3.8098663875836856
  • Atomic Density: 0.042890514645292914
  • Unit Cell Volume: 1492.1714166706502
  • Molar Volume: 14.040728608186352
  • Full Formula: As32 S32
  • Reduced Formula: AsS
  • Formula Anonymous: AB
  • Spacegroup Number: 60
  • Spacegroup Symbol: Pbcn
  • Crystal System: orthorhombic
  • Pointgroup: mmm