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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1473627
  • Created at: Sept. 4, 2022, 3:52 p.m.
  • Last updated at: Sept. 4, 2022, 3:52 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 2
  • Element list: ['H', 'Zr']
  • Chemical System: H-Zr
  • Density: 4.792548759033802
  • Atomic Density: 0.15149426783240594
  • Unit Cell Volume: 66.00909818622796
  • Molar Volume: 3.975160807181254
  • Full Formula: Zr2 H8
  • Reduced Formula: ZrH4
  • Formula Anonymous: AB4
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m