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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-324046
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Fe', 'H']
  • Chemical System: Fe-H
  • Density: 5.225332572994421
  • Atomic Density: 0.21381565510067935
  • Unit Cell Volume: 37.41540812918044
  • Molar Volume: 2.8165106793346615
  • Full Formula: Fe2 H6
  • Reduced Formula: FeH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm