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-111007
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sn', 'Pb', 'Se']
  • Chemical System: Pb-Se-Sn
  • Density: 6.610347271457141
  • Atomic Density: 0.035047784377068625
  • Unit Cell Volume: 171.1948445998125
  • Molar Volume: 17.182657526106613
  • Full Formula: Sn2 Pb1 Se3
  • Reduced Formula: Sn2PbSe3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1