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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-49579
  • 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: 21
  • Number of elements: 4
  • Element list: ['Ca', 'Sc', 'Co', 'O']
  • Chemical System: Ca-Co-O-Sc
  • Density: 3.865682138128731
  • Atomic Density: 0.08145702738411342
  • Unit Cell Volume: 257.8046446621944
  • Molar Volume: 7.393027898750083
  • Full Formula: Ca5 Sc2 Co2 O12
  • Reduced Formula: Ca5Sc2(CoO6)2
  • Formula Anonymous: A2B2C5D12
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2