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-1239348
  • Created at: Sept. 4, 2022, 3:40 p.m.
  • Last updated at: Sept. 4, 2022, 3:40 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['La', 'Th']
  • Chemical System: La-Th
  • Density: 2.646118268149536
  • Atomic Density: 0.009376480105233604
  • Unit Cell Volume: 639.8989740991422
  • Molar Volume: 64.22602823674382
  • Full Formula: La4 Th2
  • Reduced Formula: La2Th
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m