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-118043
  • 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: 5
  • Number of elements: 3
  • Element list: ['H', 'Pb', 'Cl']
  • Chemical System: Cl-H-Pb
  • Density: 4.748619864903419
  • Atomic Density: 0.045454327228511414
  • Unit Cell Volume: 110.00052810953781
  • Molar Volume: 13.248773278999467
  • Full Formula: H1 Pb1 Cl3
  • Reduced Formula: HPbCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m