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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-87082
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'Si']
  • Chemical System: Fe-Si-Ti
  • Density: 5.614784910187598
  • Atomic Density: 0.07696585688945254
  • Unit Cell Volume: 233.86993567620158
  • Molar Volume: 7.824431512079065
  • Full Formula: Ti6 Fe6 Si6
  • Reduced Formula: TiFeSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 46
  • Spacegroup Symbol: Ima2
  • Crystal System: orthorhombic
  • Pointgroup: mm2