Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115267
  • 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: 4
  • Number of elements: 2
  • Element list: ['Nb', 'O']
  • Chemical System: Nb-O
  • Density: 5.215998408589901
  • Atomic Density: 0.08917091731530519
  • Unit Cell Volume: 44.85767468171424
  • Molar Volume: 6.753480777489285
  • Full Formula: Nb1 O3
  • Reduced Formula: NbO3
  • Formula Anonymous: AB3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m