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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-2208
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ba', 'Zr', 'N']
  • Chemical System: Ba-N-Zr
  • Density: 5.758559627286786
  • Atomic Density: 0.05406651376786247
  • Unit Cell Volume: 147.96589316537842
  • Molar Volume: 11.138392954012884
  • Full Formula: Ba2 Zr2 N4
  • Reduced Formula: BaZrN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm