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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2871
  • 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', 'Zn', 'N']
  • Chemical System: Ca-N-Zn
  • Density: 3.5806669298107803
  • Atomic Density: 0.062113950449622105
  • Unit Cell Volume: 80.49721461614779
  • Molar Volume: 9.695311144127427
  • Full Formula: Ca2 Zn1 N2
  • Reduced Formula: Ca2ZnN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm