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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112163
  • 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: 3.459484361325839
  • Atomic Density: 0.09714554707588134
  • Unit Cell Volume: 102.9383260582073
  • Molar Volume: 6.199090891213003
  • Full Formula: Cd1 H2 C3 O4
  • Reduced Formula: CdH2C3O4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2