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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87897
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ca', 'Ta', 'O']
  • Chemical System: Ca-O-Ta
  • Density: 7.282371493639683
  • Atomic Density: 0.07926161598682664
  • Unit Cell Volume: 454.1921023409772
  • Molar Volume: 7.597802145493584
  • Full Formula: Ca4 Ta8 O24
  • Reduced Formula: CaTa2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm