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-109784
  • 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: ['Ca', 'Pb', 'Se']
  • Chemical System: Ca-Pb-Se
  • Density: 4.921702760316521
  • Atomic Density: 0.0368604194315322
  • Unit Cell Volume: 217.03496930792954
  • Molar Volume: 16.337689187682894
  • Full Formula: Ca3 Pb1 Se4
  • Reduced Formula: Ca3PbSe4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 47
  • Spacegroup Symbol: Pmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm