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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1054807
  • 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: 90
  • Number of elements: 3
  • Element list: ['Cu', 'Ge', 'Se']
  • Chemical System: Cu-Ge-Se
  • Density: 6.323060594640187
  • Atomic Density: 0.05415175794310916
  • Unit Cell Volume: 1661.995905923356
  • Molar Volume: 11.12085920890463
  • Full Formula: Cu48 Ge6 Se36
  • Reduced Formula: Cu8GeSe6
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 185
  • Spacegroup Symbol: P6_3cm
  • Crystal System: hexagonal
  • Pointgroup: 6mm