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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-654440
  • Created at: Sept. 4, 2022, 3:51 p.m.
  • Last updated at: Sept. 4, 2022, 3:51 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 64
  • Number of elements: 3
  • Element list: ['Ca', 'Hg', 'Li']
  • Chemical System: Ca-Hg-Li
  • Density: 4.401834051555898
  • Atomic Density: 0.03355127539702165
  • Unit Cell Volume: 1907.5280817992773
  • Molar Volume: 17.949066581637567
  • Full Formula: Li12 Ca34 Hg18
  • Reduced Formula: Li6Ca17Hg9
  • Formula Anonymous: A6B9C17
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m