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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-119910
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Ca', 'Fe', 'O', 'Si']
  • Chemical System: Ca-Fe-O-Si
  • Density: 3.8785354779212944
  • Atomic Density: 0.09192567416968826
  • Unit Cell Volume: 870.2682979765336
  • Molar Volume: 6.551097736725385
  • Full Formula: Ca12 Fe8 Si12 O48
  • Reduced Formula: Ca3Fe2(SiO4)3
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m