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-54370
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 24
  • Number of elements: 3
  • Element list: ['Al', 'Tl', 'I']
  • Chemical System: Al-I-Tl
  • Density: 4.9001713328512695
  • Atomic Density: 0.023959576413898308
  • Unit Cell Volume: 1001.6871577945863
  • Molar Volume: 25.134587757180537
  • Full Formula: Al4 Tl4 I16
  • Reduced Formula: AlTlI4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m