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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106867
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Se', 'N']
  • Chemical System: N-Se-Ta
  • Density: 10.671282741642171
  • Atomic Density: 0.07038394975046906
  • Unit Cell Volume: 85.24670782574282
  • Molar Volume: 8.556127897553614
  • Full Formula: Ta2 Se2 N2
  • Reduced Formula: TaSeN
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm