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-3419
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['Ba', 'Ir', 'O', 'Sm']
  • Chemical System: Ba-Ir-O-Sm
  • Density: 8.238508640456036
  • Atomic Density: 0.06822722970430395
  • Unit Cell Volume: 439.7071393638532
  • Molar Volume: 8.826594288086868
  • Full Formula: Ba6 Sm2 Ir4 O18
  • Reduced Formula: Ba3SmIr2O9
  • Formula Anonymous: AB2C3D9
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1