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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1709567
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Fe', 'H', 'Ti']
  • Chemical System: Fe-H-Ti
  • Density: 4.504722538230579
  • Atomic Density: 0.15489301743290046
  • Unit Cell Volume: 58.10462052557529
  • Molar Volume: 3.887935595682218
  • Full Formula: Ti2 Fe1 H6
  • Reduced Formula: Ti2FeH6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m