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-1282758
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['F', 'Li', 'Na', 'Pd']
  • Chemical System: F-Li-Na-Pd
  • Density: 4.799583819169754
  • Atomic Density: 0.1089447917499345
  • Unit Cell Volume: 734.3168839463874
  • Molar Volume: 5.527699546962161
  • Full Formula: Na12 Li12 Pd8 F48
  • Reduced Formula: Na3Li3Pd2F12
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m