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-7785
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['I', 'Pb']
  • Chemical System: I-Pb
  • Density: 5.692450316855515
  • Atomic Density: 0.022308073085908403
  • Unit Cell Volume: 1613.7655574896128
  • Molar Volume: 26.995342613450894
  • Full Formula: Pb12 I24
  • Reduced Formula: PbI2
  • Formula Anonymous: AB2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m