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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116191
  • 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: 5
  • Number of elements: 3
  • Element list: ['Na', 'I', 'O']
  • Chemical System: I-Na-O
  • Density: 3.3432750869173073
  • Atomic Density: 0.05087024358542494
  • Unit Cell Volume: 98.28928755970361
  • Molar Volume: 11.838238497693043
  • Full Formula: Na1 I1 O3
  • Reduced Formula: NaIO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m