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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117269
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Y', 'Cu', 'Si', 'Se']
  • Chemical System: Cu-Se-Si-Y
  • Density: 5.450103609535801
  • Atomic Density: 0.04323003764145123
  • Unit Cell Volume: 555.1695374187585
  • Molar Volume: 13.930454583332713
  • Full Formula: Y6 Cu2 Si2 Se14
  • Reduced Formula: Y3CuSiSe7
  • Formula Anonymous: ABC3D7
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6