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-102067
  • 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: 5
  • Number of elements: 3
  • Element list: ['K', 'Au', 'Br']
  • Chemical System: Au-Br-K
  • Density: 5.139835971301447
  • Atomic Density: 0.032528710126495525
  • Unit Cell Volume: 153.71036787368226
  • Molar Volume: 18.51330943213393
  • Full Formula: K1 Au1 Br3
  • Reduced Formula: KAuBr3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m