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-12487
  • 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: 12
  • Number of elements: 4
  • Element list: ['K', 'As', 'Br', 'O']
  • Chemical System: As-Br-K-O
  • Density: 3.910551479295864
  • Atomic Density: 0.054907106809233684
  • Unit Cell Volume: 218.550943536183
  • Molar Volume: 10.967871210047553
  • Full Formula: K1 As4 Br1 O6
  • Reduced Formula: KAs4BrO6
  • Formula Anonymous: ABC4D6
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm