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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-105378
  • 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: 8
  • Number of elements: 4
  • Element list: ['Ti', 'Al', 'C', 'N']
  • Chemical System: Al-C-N-Ti
  • Density: 4.14915745174509
  • Atomic Density: 0.07363993484490762
  • Unit Cell Volume: 108.63670665717895
  • Molar Volume: 8.177819239904508
  • Full Formula: Ti4 Al2 C1 N1
  • Reduced Formula: Ti4Al2CN
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1