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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36524
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Zr', 'Zn', 'N']
  • Chemical System: N-Zn-Zr
  • Density: 6.802426500058094
  • Atomic Density: 0.05800990788840941
  • Unit Cell Volume: 172.38434543348131
  • Molar Volume: 10.381227930208876
  • Full Formula: Zr6 Zn2 N2
  • Reduced Formula: Zr3ZnN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm