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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58506
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Se']
  • Chemical System: Al-Cu-Se
  • Density: 4.80893787445372
  • Atomic Density: 0.04434554138127495
  • Unit Cell Volume: 496.10398959498485
  • Molar Volume: 13.580036622448064
  • Full Formula: Al4 Cu6 Se12
  • Reduced Formula: Al2(CuSe2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m