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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-92558
  • 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: 5
  • Number of elements: 3
  • Element list: ['Sm', 'Si', 'Ir']
  • Chemical System: Ir-Si-Sm
  • Density: 7.939627749719758
  • Atomic Density: 0.056009610196174585
  • Unit Cell Volume: 89.2703945356416
  • Molar Volume: 10.751977631887371
  • Full Formula: Sm1 Si3 Ir1
  • Reduced Formula: SmSi3Ir
  • Formula Anonymous: ABC3
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm