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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-60452
  • 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', 'O', 'Te', 'Zn']
  • Chemical System: Ca-O-Te-Zn
  • Density: 5.101018704814095
  • Atomic Density: 0.08045282474964235
  • Unit Cell Volume: 994.3715494011369
  • Molar Volume: 7.485306797791175
  • Full Formula: Ca12 Zn12 Te8 O48
  • Reduced Formula: Ca3Zn3(TeO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m