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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88413
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 50
  • Number of elements: 7
  • Element list: ['Na', 'Al', 'Fe', 'Si', 'B', 'O', 'F']
  • Chemical System: Al-B-F-Fe-Na-O-Si
  • Density: 3.350171969767801
  • Atomic Density: 0.09585875017674672
  • Unit Cell Volume: 521.6007918714647
  • Molar Volume: 6.282306778354849
  • Full Formula: Na1 Al6 Fe3 Si6 B3 O30 F1
  • Reduced Formula: NaAl6Fe3Si6B3O30F
  • Formula Anonymous: ABC3D3E6F6G30
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m