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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96920
  • 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: 52
  • Number of elements: 3
  • Element list: ['Bi', 'I', 'O']
  • Chemical System: Bi-I-O
  • Density: 6.1386045623115155
  • Atomic Density: 0.06550165210336542
  • Unit Cell Volume: 793.8731059476328
  • Molar Volume: 9.19387613383661
  • Full Formula: Bi4 I12 O36
  • Reduced Formula: Bi(IO3)3
  • Formula Anonymous: AB3C9
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m