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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29467
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Bi', 'Te', 'I', 'O']
  • Chemical System: Bi-I-O-Te
  • Density: 6.693658671446177
  • Atomic Density: 0.04728620409599145
  • Unit Cell Volume: 507.54761264574694
  • Molar Volume: 12.73551319064435
  • Full Formula: Bi4 Te4 I4 O12
  • Reduced Formula: BiTeIO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m