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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-11108
  • 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: 28
  • Number of elements: 3
  • Element list: ['As', 'Li', 'S']
  • Chemical System: As-Li-S
  • Density: 2.4383344804707745
  • Atomic Density: 0.05355223948836856
  • Unit Cell Volume: 522.8539509740119
  • Molar Volume: 11.245357463170139
  • Full Formula: Li12 As4 S12
  • Reduced Formula: Li3AsS3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2