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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5476
  • 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: 16
  • Number of elements: 3
  • Element list: ['Hf', 'Fe', 'Cl']
  • Chemical System: Cl-Fe-Hf
  • Density: 3.8037111357078257
  • Atomic Density: 0.04099108405943453
  • Unit Cell Volume: 390.32878410341607
  • Molar Volume: 14.691343003440139
  • Full Formula: Hf2 Fe2 Cl12
  • Reduced Formula: HfFeCl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m