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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-29414
  • 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: 28
  • Number of elements: 3
  • Element list: ['Al', 'H', 'O']
  • Chemical System: Al-H-O
  • Density: 2.506278994572175
  • Atomic Density: 0.13544530038982802
  • Unit Cell Volume: 206.7255188582594
  • Molar Volume: 4.446179190173116
  • Full Formula: Al4 H12 O12
  • Reduced Formula: Al(HO)3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1