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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-649332
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Bi', 'I', 'Ir', 'Si']
  • Chemical System: Bi-I-Ir-Si
  • Density: 6.9881691849159635
  • Atomic Density: 0.025983328266161114
  • Unit Cell Volume: 2232.200563602746
  • Molar Volume: 23.176941376839775
  • Full Formula: Si4 Bi28 Ir2 I24
  • Reduced Formula: Si2Bi14IrI12
  • Formula Anonymous: AB2C12D14
  • Spacegroup Number: 124
  • Spacegroup Symbol: P4/mcc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm