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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16300
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ti', 'Al', 'N']
  • Chemical System: Al-N-Ti
  • Density: 4.34958905581486
  • Atomic Density: 0.0709516918483151
  • Unit Cell Volume: 70.47048308149309
  • Molar Volume: 8.487663370839
  • Full Formula: Ti3 Al1 N1
  • Reduced Formula: Ti3AlN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m