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-102370
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Rb', 'Sc', 'Br']
  • Chemical System: Br-K-Rb-Sc
  • Density: 2.955686708541855
  • Atomic Density: 0.02586978933916584
  • Unit Cell Volume: 386.55127294988813
  • Molar Volume: 23.278661766614068
  • Full Formula: K2 Rb1 Sc1 Br6
  • Reduced Formula: K2RbScBr6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m