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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-89324
  • 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: 10
  • Number of elements: 3
  • Element list: ['Li', 'I', 'O']
  • Chemical System: I-Li-O
  • Density: 5.350215675969512
  • Atomic Density: 0.08859189849220873
  • Unit Cell Volume: 112.87713854421412
  • Molar Volume: 6.797620168992788
  • Full Formula: Li2 I2 O6
  • Reduced Formula: LiIO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 182
  • Spacegroup Symbol: P6_322
  • Crystal System: hexagonal
  • Pointgroup: 622