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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-8271
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ca', 'Ti', 'N']
  • Chemical System: Ca-N-Ti
  • Density: 3.169814719532927
  • Atomic Density: 0.05826041148303005
  • Unit Cell Volume: 85.82157030347078
  • Molar Volume: 10.33659153223474
  • Full Formula: Ca1 Ti2 N2
  • Reduced Formula: Ca(TiN)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2