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-23900
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Rb', 'V', 'Cl']
  • Chemical System: Cl-Rb-V
  • Density: 3.4071114884335043
  • Atomic Density: 0.04225861649863325
  • Unit Cell Volume: 236.63813036386142
  • Molar Volume: 14.250681302344034
  • Full Formula: Rb2 V2 Cl6
  • Reduced Formula: RbVCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm