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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1749935
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ca', 'O', 'Te']
  • Chemical System: Ca-O-Te
  • Density: 3.637263444079522
  • Atomic Density: 0.05672788791487459
  • Unit Cell Volume: 317.30425125311655
  • Molar Volume: 10.615838137737079
  • Full Formula: Ca3 Te3 O12
  • Reduced Formula: CaTeO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 180
  • Spacegroup Symbol: P6_222
  • Crystal System: hexagonal
  • Pointgroup: 622