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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112864
  • 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: 24
  • Number of elements: 4
  • Element list: ['Na', 'Fe', 'B', 'O']
  • Chemical System: B-Fe-Na-O
  • Density: 3.727767567585427
  • Atomic Density: 0.09785742653782414
  • Unit Cell Volume: 245.25476347697995
  • Molar Volume: 6.153994615495334
  • Full Formula: Na4 Fe4 B4 O12
  • Reduced Formula: NaFeBO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m