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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-78843
  • 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: ['Nb', 'Fe']
  • Chemical System: Fe-Nb
  • Density: 8.334610945385974
  • Atomic Density: 0.060009061712706396
  • Unit Cell Volume: 66.6565996174047
  • Molar Volume: 10.035385636974333
  • Full Formula: Nb3 Fe1
  • Reduced Formula: Nb3Fe
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm