Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: oqmd-25221
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Bi', 'Cs', 'I']
  • Chemical System: Bi-Cs-I
  • Density: 4.6531016306168755
  • Atomic Density: 0.02002753625027805
  • Unit Cell Volume: 1398.0751126894734
  • Molar Volume: 30.069304005960255
  • Full Formula: Cs6 Bi4 I18
  • Reduced Formula: Cs3Bi2I9
  • Formula Anonymous: A2B3C9
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm