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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36688
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ti', 'P', 'N']
  • Chemical System: N-P-Ti
  • Density: 4.019737413745298
  • Atomic Density: 0.1001458376665314
  • Unit Cell Volume: 199.70874941998684
  • Molar Volume: 6.013371000053645
  • Full Formula: Ti4 P4 N12
  • Reduced Formula: TiPN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m