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-89982
  • 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: 9
  • Number of elements: 3
  • Element list: ['Th', 'Al', 'Ir']
  • Chemical System: Al-Ir-Th
  • Density: 11.865939484118348
  • Atomic Density: 0.04750835242713198
  • Unit Cell Volume: 189.44037290714607
  • Molar Volume: 12.6759621252636
  • Full Formula: Th3 Al3 Ir3
  • Reduced Formula: ThAlIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m