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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5742
  • 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: 10
  • Number of elements: 3
  • Element list: ['Bi', 'O', 'S']
  • Chemical System: Bi-O-S
  • Density: 8.96546655143956
  • Atomic Density: 0.05600471591128238
  • Unit Cell Volume: 178.55639185530552
  • Molar Volume: 10.752917253503675
  • Full Formula: Bi4 S2 O4
  • Reduced Formula: Bi2SO2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 58
  • Spacegroup Symbol: Pnnm
  • Crystal System: orthorhombic
  • Pointgroup: mmm