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-95115
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 29
  • Number of elements: 3
  • Element list: ['Tl', 'Hg', 'Cl']
  • Chemical System: Cl-Hg-Tl
  • Density: 6.28479967053241
  • Atomic Density: 0.03416250862692947
  • Unit Cell Volume: 848.883795879674
  • Molar Volume: 17.627923129898292
  • Full Formula: Tl10 Hg3 Cl16
  • Reduced Formula: Tl10Hg3Cl16
  • Formula Anonymous: A3B10C16
  • Spacegroup Number: 87
  • Spacegroup Symbol: I4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m