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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59559
  • 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: 22
  • Number of elements: 3
  • Element list: ['Ca', 'Co', 'O']
  • Chemical System: Ca-Co-O
  • Density: 4.5519259637220815
  • Atomic Density: 0.09025400328245226
  • Unit Cell Volume: 243.75650054159289
  • Molar Volume: 6.672436170120403
  • Full Formula: Ca6 Co4 O12
  • Reduced Formula: Ca3(CoO3)2
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m