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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50870
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Cd', 'Cu', 'H', 'Cl', 'O']
  • Chemical System: Cd-Cl-Cu-H-O
  • Density: 2.855159732829075
  • Atomic Density: 0.079392307748772
  • Unit Cell Volume: 226.72221667820727
  • Molar Volume: 7.58529501252991
  • Full Formula: Cd1 Cu1 H8 Cl4 O4
  • Reduced Formula: CdCuH8(ClO)4
  • Formula Anonymous: ABC4D4E8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1