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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116054
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ta', 'N', 'F']
  • Chemical System: F-N-Ta
  • Density: 9.897273418175146
  • Atomic Density: 0.08456008066609164
  • Unit Cell Volume: 70.95546684365905
  • Molar Volume: 7.121730150400462
  • Full Formula: Ta2 N3 F1
  • Reduced Formula: Ta2N3F
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm