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-100239
  • 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: 4
  • Number of elements: 2
  • Element list: ['Th', 'Hg']
  • Chemical System: Hg-Th
  • Density: 12.324738715183285
  • Atomic Density: 0.03310849354965852
  • Unit Cell Volume: 120.81492001442197
  • Molar Volume: 18.18911135587476
  • Full Formula: Th3 Hg1
  • Reduced Formula: Th3Hg
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm