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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100835
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ga', 'Cu', 'Se']
  • Chemical System: Cu-Ga-Se
  • Density: 6.423617043652837
  • Atomic Density: 0.053139268363270306
  • Unit Cell Volume: 75.27390051092212
  • Molar Volume: 11.332750610775221
  • Full Formula: Ga1 Cu1 Se2
  • Reduced Formula: GaCuSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm