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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-99903
  • 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: ['Zr', 'Al', 'N']
  • Chemical System: Al-N-Zr
  • Density: 6.440431187834954
  • Atomic Density: 0.08699146879555962
  • Unit Cell Volume: 91.963040867846
  • Molar Volume: 6.922679710297515
  • Full Formula: Zr3 Al1 N4
  • Reduced Formula: Zr3AlN4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm