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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112166
  • 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: 13
  • Number of elements: 4
  • Element list: ['Cd', 'H', 'C', 'O']
  • Chemical System: C-Cd-H-O
  • Density: 3.187686177182635
  • Atomic Density: 0.10922338138020465
  • Unit Cell Volume: 119.02213459906748
  • Molar Volume: 5.513600370086543
  • Full Formula: Cd1 H4 C4 O4
  • Reduced Formula: CdH4(CO)4
  • Formula Anonymous: AB4C4D4
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1