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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-42244
  • 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: 22
  • Number of elements: 3
  • Element list: ['Na', 'Fe', 'O']
  • Chemical System: Fe-Na-O
  • Density: 2.856048990315613
  • Atomic Density: 0.07339356321010704
  • Unit Cell Volume: 299.7538072517288
  • Molar Volume: 8.20527100279918
  • Full Formula: Na12 Fe2 O8
  • Reduced Formula: Na6FeO4
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 137
  • Spacegroup Symbol: P4_2/nmc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm