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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-5341
  • 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: 20
  • Number of elements: 3
  • Element list: ['Na', 'Zr', 'F']
  • Chemical System: F-Na-Zr
  • Density: 2.97855950558899
  • Atomic Density: 0.06590041335868393
  • Unit Cell Volume: 303.4882329363193
  • Molar Volume: 9.138244288730917
  • Full Formula: Na5 Zr2 F13
  • Reduced Formula: Na5Zr2F13
  • Formula Anonymous: A2B5C13
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m