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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-649214
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 52
  • Number of elements: 3
  • Element list: ['Bi', 'Cl', 'Se']
  • Chemical System: Bi-Cl-Se
  • Density: 4.196486379469277
  • Atomic Density: 0.03345654242648945
  • Unit Cell Volume: 1554.2550493451063
  • Molar Volume: 17.99988977710957
  • Full Formula: Bi8 Se16 Cl28
  • Reduced Formula: Bi2Se4Cl7
  • Formula Anonymous: A2B4C7
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1