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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121982
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ca', 'I', 'O']
  • Chemical System: Ca-I-O
  • Density: 4.962702422260757
  • Atomic Density: 0.05845534647297887
  • Unit Cell Volume: 239.49905089471218
  • Molar Volume: 10.302121402674006
  • Full Formula: Ca2 I4 O8
  • Reduced Formula: Ca(IO2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m