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-1759394
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ce', 'O', 'Y']
  • Chemical System: Ce-O-Y
  • Density: 6.071381843388885
  • Atomic Density: 0.0659929057142821
  • Unit Cell Volume: 303.0628790099119
  • Molar Volume: 9.125436582642696
  • Full Formula: Ce4 Y4 O12
  • Reduced Formula: CeYO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm