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-29967
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 3
  • Element list: ['Bi', 'Pb', 'Se']
  • Chemical System: Bi-Pb-Se
  • Density: 7.539522225604807
  • Atomic Density: 0.03377557690174324
  • Unit Cell Volume: 207.25034602262303
  • Molar Volume: 17.82986794724203
  • Full Formula: Bi2 Pb1 Se4
  • Reduced Formula: Bi2PbSe4
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m