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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8455
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ca', 'Hg', 'Pb']
  • Chemical System: Ca-Hg-Pb
  • Density: 8.890383337477719
  • Atomic Density: 0.03586266928234528
  • Unit Cell Volume: 167.30489169008177
  • Molar Volume: 16.792226793237113
  • Full Formula: Ca2 Hg2 Pb2
  • Reduced Formula: CaHgPb
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm