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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-58215
  • 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', 'Ni', 'O']
  • Chemical System: Ca-Ni-O
  • Density: 5.72178758517767
  • Atomic Density: 0.10220670267477505
  • Unit Cell Volume: 215.25007092739008
  • Molar Volume: 5.8921192078396665
  • Full Formula: Ca2 Ni8 O12
  • Reduced Formula: Ca(Ni2O3)2
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm