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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-117259
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ca', 'Co', 'O']
  • Chemical System: Ca-Co-O
  • Density: 3.628747081380654
  • Atomic Density: 0.07941757598444427
  • Unit Cell Volume: 251.8334229178369
  • Molar Volume: 7.582881604419119
  • Full Formula: Ca6 Co2 O12
  • Reduced Formula: Ca3CoO6
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m