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-1202076
  • Created at: Sept. 4, 2022, 3:36 p.m.
  • Last updated at: Sept. 4, 2022, 3:36 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 64
  • Number of elements: 2
  • Element list: ['Pb', 'S']
  • Chemical System: Pb-S
  • Density: 7.3815018372391705
  • Atomic Density: 0.03715749741869033
  • Unit Cell Volume: 1722.3980204815357
  • Molar Volume: 16.207067693883083
  • Full Formula: Pb32 S32
  • Reduced Formula: PbS
  • Formula Anonymous: AB
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m