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-12469
  • 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: 18
  • Number of elements: 3
  • Element list: ['K', 'Te', 'Br']
  • Chemical System: Br-K-Te
  • Density: 3.7781406107596385
  • Atomic Density: 0.02988416448547624
  • Unit Cell Volume: 602.3256902078703
  • Molar Volume: 20.151611609977493
  • Full Formula: K4 Te2 Br12
  • Reduced Formula: K2TeBr6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m