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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-4374
  • 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: 12
  • Number of elements: 3
  • Element list: ['Bi', 'I', 'S']
  • Chemical System: Bi-I-S
  • Density: 6.115976538941956
  • Atomic Density: 0.030029583879261208
  • Unit Cell Volume: 399.60593687371556
  • Molar Volume: 20.05402666987658
  • Full Formula: Bi4 S4 I4
  • Reduced Formula: BiSI
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm