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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-86181
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'N']
  • Chemical System: Al-N-Ti
  • Density: 4.73180772429583
  • Atomic Density: 0.08752071781716593
  • Unit Cell Volume: 182.81385709638033
  • Molar Volume: 6.880817376955796
  • Full Formula: Ti8 Al2 N6
  • Reduced Formula: Ti4AlN3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm