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-20988
  • 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: 12
  • Number of elements: 3
  • Element list: ['Tb', 'Al', 'Ni']
  • Chemical System: Al-Ni-Tb
  • Density: 5.159389352503287
  • Atomic Density: 0.05726503810788699
  • Unit Cell Volume: 209.5519429742118
  • Molar Volume: 10.516260809351637
  • Full Formula: Tb2 Al8 Ni2
  • Reduced Formula: TbAl4Ni
  • Formula Anonymous: ABC4
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm