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-118046
  • 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: ['H', 'Pb', 'Cl']
  • Chemical System: Cl-H-Pb
  • Density: 6.958050130363008
  • Atomic Density: 0.05159098210159939
  • Unit Cell Volume: 116.29939488618481
  • Molar Volume: 11.672855438457153
  • Full Formula: H2 Pb2 Cl2
  • Reduced Formula: HPbCl
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm