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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99452
  • 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: ['Cd', 'Hg', 'Se']
  • Chemical System: Cd-Hg-Se
  • Density: 6.556567304865202
  • Atomic Density: 0.033538169863698675
  • Unit Cell Volume: 119.26709227892466
  • Molar Volume: 17.95608044348984
  • Full Formula: Cd1 Hg1 Se2
  • Reduced Formula: CdHgSe2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2