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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91661
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'H']
  • Chemical System: Fe-H-Ti
  • Density: 5.7583626261928345
  • Atomic Density: 0.13119593542986158
  • Unit Cell Volume: 60.97749883628724
  • Molar Volume: 4.590188514810725
  • Full Formula: Ti2 Fe2 H4
  • Reduced Formula: TiFeH2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2