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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-20589
  • 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: 5
  • Number of elements: 2
  • Element list: ['Nb', 'Au']
  • Chemical System: Au-Nb
  • Density: 12.392939580248028
  • Atomic Density: 0.05547593388825196
  • Unit Cell Volume: 90.12917222938073
  • Molar Volume: 10.855411234952275
  • Full Formula: Nb3 Au2
  • Reduced Formula: Nb3Au2
  • Formula Anonymous: A2B3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm