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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114300
  • 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: 4
  • Number of elements: 3
  • Element list: ['Al', 'Cu', 'Se']
  • Chemical System: Al-Cu-Se
  • Density: 5.190392995280535
  • Atomic Density: 0.05032414875870177
  • Unit Cell Volume: 79.4847026460302
  • Molar Volume: 11.96670169002846
  • Full Formula: Al1 Cu1 Se2
  • Reduced Formula: AlCuSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1