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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112258
  • 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: 3.5811898403612306
  • Atomic Density: 0.1005631504260217
  • Unit Cell Volume: 99.44000319835249
  • Molar Volume: 5.988416964353289
  • Full Formula: Cd1 H2 C3 O4
  • Reduced Formula: CdH2C3O4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m