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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116891
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Li', 'Ti', 'Fe', 'O']
  • Chemical System: Fe-Li-O-Ti
  • Density: 4.588480624022659
  • Atomic Density: 0.10827797051360616
  • Unit Cell Volume: 258.59369054651364
  • Molar Volume: 5.561741443282094
  • Full Formula: Li4 Ti2 Fe6 O16
  • Reduced Formula: Li2TiFe3O8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm