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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116029
  • 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: 6
  • Number of elements: 3
  • Element list: ['Na', 'N', 'F']
  • Chemical System: F-N-Na
  • Density: 2.192436717200687
  • Atomic Density: 0.06339334594502744
  • Unit Cell Volume: 94.64715752979811
  • Molar Volume: 9.499641752972302
  • Full Formula: Na4 N1 F1
  • Reduced Formula: Na4NF
  • Formula Anonymous: ABC4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m