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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-35086
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ta', 'Ti', 'N']
  • Chemical System: N-Ta-Ti
  • Density: 8.340143257730457
  • Atomic Density: 0.09455639404682953
  • Unit Cell Volume: 63.454196413501876
  • Molar Volume: 6.368835043579925
  • Full Formula: Ta1 Ti2 N3
  • Reduced Formula: TaTi2N3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm