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-53578
  • 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: 14
  • Number of elements: 3
  • Element list: ['Tb', 'Pb', 'S']
  • Chemical System: Pb-S-Tb
  • Density: 7.022008897170923
  • Atomic Density: 0.04530963323874005
  • Unit Cell Volume: 308.98506563125085
  • Molar Volume: 13.291082556923076
  • Full Formula: Tb4 Pb2 S8
  • Reduced Formula: Tb2PbS4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m