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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-119300
  • 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: 17
  • Number of elements: 3
  • Element list: ['Ni', 'N', 'F']
  • Chemical System: F-N-Ni
  • Density: 2.8595335831789215
  • Atomic Density: 0.08300585356029529
  • Unit Cell Volume: 204.80483328385068
  • Molar Volume: 7.255079613904012
  • Full Formula: Ni1 N2 F14
  • Reduced Formula: Ni(NF7)2
  • Formula Anonymous: AB2C14
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m