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-36967
  • 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: 10
  • Number of elements: 3
  • Element list: ['Rb', 'Tl', 'Br']
  • Chemical System: Br-Rb-Tl
  • Density: 4.726250559005458
  • Atomic Density: 0.026873233938689706
  • Unit Cell Volume: 372.1174765498872
  • Molar Volume: 22.409438230394198
  • Full Formula: Rb2 Tl2 Br6
  • Reduced Formula: RbTlBr3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m