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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-1350787
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ca', 'O', 'Ru', 'Sn']
  • Chemical System: Ca-O-Ru-Sn
  • Density: 5.478459528989089
  • Atomic Density: 0.07580051860716075
  • Unit Cell Volume: 1055.401750146371
  • Molar Volume: 7.944722372164745
  • Full Formula: Ca12 Sn12 Ru8 O48
  • Reduced Formula: Ca3Sn3(RuO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m