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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36677
  • 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', 'P', 'N']
  • Chemical System: N-P-Ti
  • Density: 3.0995307437256474
  • Atomic Density: 0.07722024370103302
  • Unit Cell Volume: 64.74986040393851
  • Molar Volume: 7.798655470857364
  • Full Formula: Ti1 P1 N3
  • Reduced Formula: TiPN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2