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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-38801
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 60
  • Number of elements: 3
  • Element list: ['Pb', 'S', 'Sb']
  • Chemical System: Pb-S-Sb
  • Density: 5.259174210627917
  • Atomic Density: 0.03718496397173769
  • Unit Cell Volume: 1613.555415721333
  • Molar Volume: 16.19509639589031
  • Full Formula: Sb16 Pb10 S34
  • Reduced Formula: Sb8Pb5S17
  • Formula Anonymous: A5B8C17
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m