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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-95058
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'H']
  • Chemical System: Fe-H-Ti
  • Density: 6.177396059023524
  • Atomic Density: 0.10657325226856945
  • Unit Cell Volume: 56.29930467806056
  • Molar Volume: 5.650705624356786
  • Full Formula: Ti2 Fe2 H2
  • Reduced Formula: TiFeH
  • Formula Anonymous: ABC
  • Spacegroup Number: 51
  • Spacegroup Symbol: Pmma
  • Crystal System: orthorhombic
  • Pointgroup: mmm