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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55786
  • 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: 26
  • Number of elements: 3
  • Element list: ['Fe', 'I', 'O']
  • Chemical System: Fe-I-O
  • Density: 5.343592166852264
  • Atomic Density: 0.07205857646852945
  • Unit Cell Volume: 360.8175636297107
  • Molar Volume: 8.357285218686057
  • Full Formula: Fe2 I6 O18
  • Reduced Formula: Fe(IO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 173
  • Spacegroup Symbol: P6_3
  • Crystal System: hexagonal
  • Pointgroup: 6