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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120304
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Zr', 'Al', 'N']
  • Chemical System: Al-N-Zr
  • Density: 3.9422828826084184
  • Atomic Density: 0.0538701621598838
  • Unit Cell Volume: 55.68945553006056
  • Molar Volume: 11.178991334992837
  • Full Formula: Zr1 Al1 N1
  • Reduced Formula: ZrAlN
  • Formula Anonymous: ABC
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2