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-100228
  • 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: 8
  • Number of elements: 2
  • Element list: ['Th', 'Ta']
  • Chemical System: Ta-Th
  • Density: 12.581143837353933
  • Atomic Density: 0.03455418839416442
  • Unit Cell Volume: 231.5204139290696
  • Molar Volume: 17.428106518679023
  • Full Formula: Th6 Ta2
  • Reduced Formula: Th3Ta
  • Formula Anonymous: AB3
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm