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-1710135
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Fe', 'O', 'Ti']
  • Chemical System: Fe-O-Ti
  • Density: 4.828343255916823
  • Atomic Density: 0.09583061236085706
  • Unit Cell Volume: 104.35078889347258
  • Molar Volume: 6.284151391335366
  • Full Formula: Ti2 Fe2 O6
  • Reduced Formula: TiFeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m