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-1281385
  • 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: 22
  • Number of elements: 3
  • Element list: ['Co', 'O', 'Ti']
  • Chemical System: Co-O-Ti
  • Density: 8.736392870373544
  • Atomic Density: 0.17774460561118538
  • Unit Cell Volume: 123.7730952472605
  • Molar Volume: 3.3880863721813173
  • Full Formula: Ti4 Co4 O14
  • Reduced Formula: Ti2Co2O7
  • Formula Anonymous: A2B2C7
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m