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-85717
  • 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: ['Lu', 'Nb', 'O']
  • Chemical System: Lu-Nb-O
  • Density: 7.677941505125918
  • Atomic Density: 0.083594494174019
  • Unit Cell Volume: 143.55012394739242
  • Molar Volume: 7.2039921043887
  • Full Formula: Lu2 Nb2 O8
  • Reduced Formula: LuNbO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m