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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91478
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'I', 'O']
  • Chemical System: I-Na-O
  • Density: 4.44442634401223
  • Atomic Density: 0.06762502182428815
  • Unit Cell Volume: 295.748518232889
  • Molar Volume: 8.905196031799422
  • Full Formula: Na4 I4 O12
  • Reduced Formula: NaIO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm