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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109001
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'Hg', 'F']
  • Chemical System: F-Hg-K-Nb
  • Density: 3.5864033796263604
  • Atomic Density: 0.04446894008996098
  • Unit Cell Volume: 224.87605910484777
  • Molar Volume: 13.54235281483473
  • Full Formula: K2 Nb1 Hg1 F6
  • Reduced Formula: K2NbHgF6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m