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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-40907
  • 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: 8
  • Number of elements: 2
  • Element list: ['Ca', 'Hg']
  • Chemical System: Ca-Hg
  • Density: 10.674135407137607
  • Atomic Density: 0.040060042835871904
  • Unit Cell Volume: 199.70023578797506
  • Molar Volume: 15.032786621504693
  • Full Formula: Ca2 Hg6
  • Reduced Formula: CaHg3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm