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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114036
  • 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: ['Ba', 'Cd', 'Se']
  • Chemical System: Ba-Cd-Se
  • Density: 5.27636110940305
  • Atomic Density: 0.03117808487741752
  • Unit Cell Volume: 128.2952437818663
  • Molar Volume: 19.315300422322842
  • Full Formula: Ba1 Cd1 Se2
  • Reduced Formula: BaCdSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm