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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-39029
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Sm', 'Ti']
  • Chemical System: Sm-Ti
  • Density: 7.4239376780051165
  • Atomic Density: 0.03584188116642809
  • Unit Cell Volume: 111.60128513976181
  • Molar Volume: 16.801966202713547
  • Full Formula: Sm3 Ti1
  • Reduced Formula: Sm3Ti
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm