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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-21588
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 32
  • Number of elements: 4
  • Element list: ['C', 'Cd', 'H', 'O']
  • Chemical System: C-Cd-H-O
  • Density: 2.955874059529025
  • Atomic Density: 0.1119206580017526
  • Unit Cell Volume: 285.91683225717725
  • Molar Volume: 5.3807231547063425
  • Full Formula: Cd2 H12 C4 O14
  • Reduced Formula: CdH6C2O7
  • Formula Anonymous: AB2C6D7
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1