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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52492
  • 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: 6
  • Number of elements: 3
  • Element list: ['Nb', 'N', 'O']
  • Chemical System: N-Nb-O
  • Density: 4.962141034598637
  • Atomic Density: 0.07293656053067642
  • Unit Cell Volume: 82.26327038654993
  • Molar Volume: 8.256683227429056
  • Full Formula: Nb2 N2 O2
  • Reduced Formula: NbNO
  • Formula Anonymous: ABC
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm