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-4080
  • 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: 9
  • Number of elements: 3
  • Element list: ['Pd', 'Se', 'Br']
  • Chemical System: Br-Pd-Se
  • Density: 4.460932244618788
  • Atomic Density: 0.032507523510792086
  • Unit Cell Volume: 276.85898610554307
  • Molar Volume: 18.52537538887183
  • Full Formula: Pd1 Se2 Br6
  • Reduced Formula: Pd(SeBr3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1