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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-25859
  • 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: 20
  • Number of elements: 4
  • Element list: ['Cd', 'Hg', 'Se', 'O']
  • Chemical System: Cd-Hg-O-Se
  • Density: 7.181863569947531
  • Atomic Density: 0.06281367608429932
  • Unit Cell Volume: 318.40199852590905
  • Molar Volume: 9.587308266941685
  • Full Formula: Cd2 Hg4 Se2 O12
  • Reduced Formula: CdHg2SeO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1