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-6046
  • 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: 8
  • Number of elements: 2
  • Element list: ['I', 'Pu']
  • Chemical System: I-Pu
  • Density: 6.649842052149642
  • Atomic Density: 0.02564138002649986
  • Unit Cell Volume: 311.99568789714743
  • Molar Volume: 23.48602436287063
  • Full Formula: Pu2 I6
  • Reduced Formula: PuI3
  • Formula Anonymous: AB3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm