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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50828
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ca', 'Cl', 'O']
  • Chemical System: Ca-Cl-O
  • Density: 2.797074129136089
  • Atomic Density: 0.07324334436917554
  • Unit Cell Volume: 245.75611825250434
  • Molar Volume: 8.222099648598812
  • Full Formula: Ca2 Cl4 O12
  • Reduced Formula: Ca(ClO3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 43
  • Spacegroup Symbol: Fdd2
  • Crystal System: orthorhombic
  • Pointgroup: mm2