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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-9683
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ca', 'Pt', 'O']
  • Chemical System: Ca-O-Pt
  • Density: 8.059126597073844
  • Atomic Density: 0.08569918157108683
  • Unit Cell Volume: 116.68722870713853
  • Molar Volume: 7.0270691616870105
  • Full Formula: Ca2 Pt2 O6
  • Reduced Formula: CaPtO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm