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-17493
  • 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: 8
  • Number of elements: 3
  • Element list: ['Nb', 'Pb', 'S']
  • Chemical System: Nb-Pb-S
  • Density: 6.756597953313511
  • Atomic Density: 0.04468437111926402
  • Unit Cell Volume: 179.03351439472524
  • Molar Volume: 13.47706280553152
  • Full Formula: Nb2 Pb2 S4
  • Reduced Formula: NbPbS2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm