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-103681
  • 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: 6
  • Number of elements: 3
  • Element list: ['Tb', 'Al', 'Cu']
  • Chemical System: Al-Cu-Tb
  • Density: 7.883955612749655
  • Atomic Density: 0.0647297524559266
  • Unit Cell Volume: 92.69307810323079
  • Molar Volume: 9.303512730255493
  • Full Formula: Tb1 Al1 Cu4
  • Reduced Formula: TbAlCu4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2