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-12977
  • 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: 18
  • Number of elements: 3
  • Element list: ['Pd', 'Pb', 'Br']
  • Chemical System: Br-Pb-Pd
  • Density: 6.201778826853014
  • Atomic Density: 0.033604986946727866
  • Unit Cell Volume: 535.6347862456964
  • Molar Volume: 17.920378215133866
  • Full Formula: Pd2 Pb4 Br12
  • Reduced Formula: Pd(PbBr3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m