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-115388
  • 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: 3
  • Number of elements: 2
  • Element list: ['Pb', 'S']
  • Chemical System: Pb-S
  • Density: 6.092464736556634
  • Atomic Density: 0.04056648387376207
  • Unit Cell Volume: 73.95267505400844
  • Molar Volume: 14.845113958459311
  • Full Formula: Pb1 S2
  • Reduced Formula: PbS2
  • Formula Anonymous: AB2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m