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-9679
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Th', 'Ti', 'O']
  • Chemical System: O-Th-Ti
  • Density: 6.339539542849831
  • Atomic Density: 0.08108163487306012
  • Unit Cell Volume: 221.99848372791766
  • Molar Volume: 7.42725620842272
  • Full Formula: Th2 Ti4 O12
  • Reduced Formula: ThTi2O6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m