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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-13300
  • 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: 19
  • Number of elements: 3
  • Element list: ['Zr', 'N', 'O']
  • Chemical System: N-O-Zr
  • Density: 5.765137927189752
  • Atomic Density: 0.08019195104446156
  • Unit Cell Volume: 236.93150936639086
  • Molar Volume: 7.509657367808759
  • Full Formula: Zr7 N4 O8
  • Reduced Formula: Zr7(NO2)4
  • Formula Anonymous: A4B7C8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1