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-691921
  • 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: ['Ca', 'O', 'Ru']
  • Chemical System: Ca-O-Ru
  • Density: 5.416977434348308
  • Atomic Density: 0.0836924697244354
  • Unit Cell Volume: 227.02161929931236
  • Molar Volume: 7.195558668334693
  • Full Formula: Ca4 Ru4 O11
  • Reduced Formula: Ca4Ru4O11
  • Formula Anonymous: A4B4C11
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1