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-1016705
  • Created at: Sept. 4, 2022, 3:27 p.m.
  • Last updated at: Sept. 4, 2022, 3:27 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['F', 'O', 'Pu']
  • Chemical System: F-O-Pu
  • Density: 10.544310716359863
  • Atomic Density: 0.0682793799571819
  • Unit Cell Volume: 175.74852038090003
  • Molar Volume: 8.819852734129242
  • Full Formula: Pu4 O4 F4
  • Reduced Formula: PuOF
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm