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-31787
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 150
  • Number of elements: 2
  • Element list: ['Mg', 'Tl']
  • Chemical System: Mg-Tl
  • Density: 1.8504651630497344
  • Atomic Density: 0.04369156485882899
  • Unit Cell Volume: 3433.1569602659515
  • Molar Volume: 13.783302977263524
  • Full Formula: Mg149 Tl1
  • Reduced Formula: Mg149Tl
  • Formula Anonymous: AB149
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2