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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-121320
  • 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: 16
  • Number of elements: 3
  • Element list: ['Ta', 'Al', 'N']
  • Chemical System: Al-N-Ta
  • Density: 13.319911239348501
  • Atomic Density: 0.08094356471333264
  • Unit Cell Volume: 197.66858621392734
  • Molar Volume: 7.439925312565412
  • Full Formula: Ta8 Al2 N6
  • Reduced Formula: Ta4AlN3
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm