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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120148
  • 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: 3
  • Number of elements: 3
  • Element list: ['Na', 'Hf', 'F']
  • Chemical System: F-Hf-Na
  • Density: 5.553646508829229
  • Atomic Density: 0.045507689912538445
  • Unit Cell Volume: 65.92292436214015
  • Molar Volume: 13.233237660654709
  • Full Formula: Na1 Hf1 F1
  • Reduced Formula: NaHfF
  • Formula Anonymous: ABC
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm