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-50357
  • 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: 20
  • Number of elements: 3
  • Element list: ['Rb', 'Nb', 'O']
  • Chemical System: Nb-O-Rb
  • Density: 4.3975469580099515
  • Atomic Density: 0.058493546759100144
  • Unit Cell Volume: 341.9180594804417
  • Molar Volume: 10.295393412886362
  • Full Formula: Rb4 Nb4 O12
  • Reduced Formula: RbNbO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m