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: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-52320
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Ce', 'Th', 'O']
  • Chemical System: Ce-O-Th
  • Density: 7.289619606784452
  • Atomic Density: 0.06562624742699603
  • Unit Cell Volume: 213.32927828265485
  • Molar Volume: 9.17642101462399
  • Full Formula: Ce4 Th1 O9
  • Reduced Formula: Ce4ThO9
  • Formula Anonymous: AB4C9
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4