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-325079
  • Created at: Sept. 4, 2022, 2:51 p.m.
  • Last updated at: Sept. 4, 2022, 2:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['H', 'Mo']
  • Chemical System: H-Mo
  • Density: 6.740884430046951
  • Atomic Density: 0.16407836681592816
  • Unit Cell Volume: 48.757189355589
  • Molar Volume: 3.6702832170166326
  • Full Formula: Mo2 H6
  • Reduced Formula: MoH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm