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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-103370
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Fe', 'H', 'La']
  • Chemical System: Fe-H-La
  • Density: 6.019102660243332
  • Atomic Density: 0.1516557069550675
  • Unit Cell Volume: 118.68989543092522
  • Molar Volume: 3.970929205970626
  • Full Formula: La1 Fe5 H12
  • Reduced Formula: LaFe5H12
  • Formula Anonymous: AB5C12
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm