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-59031
  • 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: 22
  • Number of elements: 3
  • Element list: ['K', 'Mn', 'Br']
  • Chemical System: Br-K-Mn
  • Density: 3.272847277005588
  • Atomic Density: 0.03138666242688279
  • Unit Cell Volume: 700.9346741231371
  • Molar Volume: 19.18694214151937
  • Full Formula: K8 Mn2 Br12
  • Reduced Formula: K4MnBr6
  • Formula Anonymous: AB4C6
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m