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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51104
  • 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: ['Hg', 'P', 'Se']
  • Chemical System: Hg-P-Se
  • Density: 7.241560213420329
  • Atomic Density: 0.051080540123978696
  • Unit Cell Volume: 78.30770759846142
  • Molar Volume: 11.789500943771406
  • Full Formula: Hg1 P2 Se1
  • Reduced Formula: HgP2Se
  • Formula Anonymous: ABC2
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m