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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29915
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 4
  • Element list: ['Cd', 'H', 'Cl', 'O']
  • Chemical System: Cd-Cl-H-O
  • Density: 4.480173807286323
  • Atomic Density: 0.06545767701303852
  • Unit Cell Volume: 122.21637499305818
  • Molar Volume: 9.200052667314255
  • Full Formula: Cd2 H2 Cl2 O2
  • Reduced Formula: CdHClO
  • Formula Anonymous: ABCD
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm