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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-50465
  • 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: 12
  • Number of elements: 3
  • Element list: ['Zr', 'Nb', 'O']
  • Chemical System: Nb-O-Zr
  • Density: 5.931605644105624
  • Atomic Density: 0.08637711265120265
  • Unit Cell Volume: 138.92569028623257
  • Molar Volume: 6.971917184032143
  • Full Formula: Zr2 Nb2 O8
  • Reduced Formula: ZrNbO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m