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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12161
  • 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: 20
  • Number of elements: 3
  • Element list: ['Hg', 'P', 'Se']
  • Chemical System: Hg-P-Se
  • Density: 5.942952300842857
  • Atomic Density: 0.03820020480709226
  • Unit Cell Volume: 523.5574024013293
  • Molar Volume: 15.764681866003837
  • Full Formula: Hg4 P4 Se12
  • Reduced Formula: HgPSe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m