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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-23964
  • 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: 44
  • Number of elements: 4
  • Element list: ['Al', 'H', 'Cl', 'O']
  • Chemical System: Al-Cl-H-O
  • Density: 1.696063017437979
  • Atomic Density: 0.09307227776606877
  • Unit Cell Volume: 472.7508669186242
  • Molar Volume: 6.470391511354506
  • Full Formula: Al2 H24 Cl6 O12
  • Reduced Formula: AlH12(ClO2)3
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m