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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-85028
  • 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: 4
  • Number of elements: 3
  • Element list: ['K', 'Ba', 'Hg']
  • Chemical System: Ba-Hg-K
  • Density: 6.743856951482075
  • Atomic Density: 0.028124711349542215
  • Unit Cell Volume: 142.22368188198695
  • Molar Volume: 21.41227579246968
  • Full Formula: K1 Ba1 Hg2
  • Reduced Formula: KBaHg2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm