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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112164
  • 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: 10
  • Number of elements: 4
  • Element list: ['Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-O
  • Density: 3.4528770258811
  • Atomic Density: 0.09696000693479309
  • Unit Cell Volume: 103.13530615488853
  • Molar Volume: 6.210953309904331
  • Full Formula: Cd1 H2 C3 O4
  • Reduced Formula: CdH2C3O4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2