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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-54466
  • 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: ['Ni', 'F']
  • Chemical System: F-Ni
  • Density: 4.4838488085057415
  • Atomic Density: 0.09336223773134984
  • Unit Cell Volume: 85.68774907709503
  • Molar Volume: 6.45029607937283
  • Full Formula: Ni2 F6
  • Reduced Formula: NiF3
  • Formula Anonymous: AB3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m