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-40234
  • 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: 4
  • Number of elements: 3
  • Element list: ['Ta', 'Mn', 'Al']
  • Chemical System: Al-Mn-Ta
  • Density: 9.829798863913933
  • Atomic Density: 0.07450649006331893
  • Unit Cell Volume: 53.68659826279056
  • Molar Volume: 8.082706291602406
  • Full Formula: Ta1 Mn2 Al1
  • Reduced Formula: TaMn2Al
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m