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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101898
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 35
  • Number of elements: 5
  • Element list: ['Al', 'H', 'C', 'Cl', 'O']
  • Chemical System: Al-C-Cl-H-O
  • Density: 1.4571931228522434
  • Atomic Density: 0.10942645629295136
  • Unit Cell Volume: 319.8495243810112
  • Molar Volume: 5.503368165261432
  • Full Formula: Al1 H18 C10 Cl1 O5
  • Reduced Formula: AlH18C10ClO5
  • Formula Anonymous: ABC5D10E18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1