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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1054805
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 66
  • Number of elements: 4
  • Element list: ['Bi', 'Cs', 'Cu', 'S']
  • Chemical System: Bi-Cs-Cu-S
  • Density: 5.695341882992608
  • Atomic Density: 0.035952072119224014
  • Unit Cell Volume: 1835.7773588440537
  • Molar Volume: 16.75046918027261
  • Full Formula: Cs8 Cu6 Bi18 S34
  • Reduced Formula: Cs4Cu3Bi9S17
  • Formula Anonymous: A3B4C9D17
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m