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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1666881
  • Created at: Sept. 4, 2022, 3:58 p.m.
  • Last updated at: Sept. 4, 2022, 3:58 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Fe', 'H', 'Li', 'Ni']
  • Chemical System: Fe-H-Li-Ni
  • Density: 3.3910412823763347
  • Atomic Density: 0.15186752132698866
  • Unit Cell Volume: 65.84686384963656
  • Molar Volume: 3.965390827070668
  • Full Formula: Li2 Fe1 Ni1 H6
  • Reduced Formula: Li2FeNiH6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3