Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: oqmd-824707
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Al', 'H', 'O']
  • Chemical System: Al-H-O
  • Density: 3.212582328168817
  • Atomic Density: 0.15076148493992544
  • Unit Cell Volume: 79.59592600710778
  • Molar Volume: 3.9944822528112316
  • Full Formula: Al2 H4 O6
  • Reduced Formula: AlH2O3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m