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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-323864
  • 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: ['H', 'Ti']
  • Chemical System: H-Ti
  • Density: 3.476975390430435
  • Atomic Density: 0.16457848568731298
  • Unit Cell Volume: 48.609026669496835
  • Molar Volume: 3.659130010128799
  • Full Formula: Ti2 H6
  • Reduced Formula: TiH3
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm