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-692199
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['O', 'Sr', 'Ti']
  • Chemical System: O-Sr-Ti
  • Density: 4.93804083514414
  • Atomic Density: 0.07869917558239573
  • Unit Cell Volume: 241.42565483557775
  • Molar Volume: 7.652101455236967
  • Full Formula: Sr4 Ti4 O11
  • Reduced Formula: Sr4Ti4O11
  • Formula Anonymous: A4B4C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1