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-1234132
  • Created at: Sept. 4, 2022, 3:39 p.m.
  • Last updated at: Sept. 4, 2022, 3:39 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['O', 'Th']
  • Chemical System: O-Th
  • Density: 8.305378293901956
  • Atomic Density: 0.05682860775750486
  • Unit Cell Volume: 105.58062632121464
  • Molar Volume: 10.597023220588591
  • Full Formula: Th2 O4
  • Reduced Formula: ThO2
  • Formula Anonymous: AB2
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm