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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12422
  • 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: 12
  • Number of elements: 3
  • Element list: ['Nb', 'Fe', 'Si']
  • Chemical System: Fe-Nb-Si
  • Density: 7.718095951261537
  • Atomic Density: 0.06121678765269578
  • Unit Cell Volume: 196.02466023013477
  • Molar Volume: 9.837400802808713
  • Full Formula: Nb8 Fe2 Si2
  • Reduced Formula: Nb4FeSi
  • Formula Anonymous: ABC4
  • Spacegroup Number: 124
  • Spacegroup Symbol: P4/mcc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm