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-300394
  • Created at: Sept. 4, 2022, 2:50 p.m.
  • Last updated at: Sept. 4, 2022, 2:50 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Os', 'Tl']
  • Chemical System: Os-Tl
  • Density: 20.30222614521818
  • Atomic Density: 0.06309744568938579
  • Unit Cell Volume: 63.39400836748733
  • Molar Volume: 9.544191043240664
  • Full Formula: Tl1 Os3
  • Reduced Formula: TlOs3
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm