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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-5031
  • 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: ['Ag', 'Bi', 'Se']
  • Chemical System: Ag-Bi-Se
  • Density: 7.859901008468225
  • Atomic Density: 0.039879158182760215
  • Unit Cell Volume: 300.9090599406787
  • Molar Volume: 15.10097262435037
  • Full Formula: Ag3 Bi3 Se6
  • Reduced Formula: AgBiSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m