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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-51910
  • 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: 4
  • Element list: ['Ca', 'Sc', 'Co', 'O']
  • Chemical System: Ca-Co-O-Sc
  • Density: 4.141943829501862
  • Atomic Density: 0.08571082063700325
  • Unit Cell Volume: 256.6770430675601
  • Molar Volume: 7.026114923697405
  • Full Formula: Ca6 Sc2 Co2 O12
  • Reduced Formula: Ca3ScCoO6
  • Formula Anonymous: ABC3D6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m