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-56282
  • 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: 13
  • Number of elements: 4
  • Element list: ['Tl', 'Hg', 'Pd', 'Cl']
  • Chemical System: Cl-Hg-Pd-Tl
  • Density: 5.654473567041538
  • Atomic Density: 0.03688999437416294
  • Unit Cell Volume: 352.3990778677092
  • Molar Volume: 16.324591158565735
  • Full Formula: Tl2 Hg2 Pd1 Cl8
  • Reduced Formula: Tl2Hg2PdCl8
  • Formula Anonymous: AB2C2D8
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m