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-12407
  • 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: 13
  • Number of elements: 3
  • Element list: ['Ti', 'Fe', 'Ge']
  • Chemical System: Fe-Ge-Ti
  • Density: 7.8379129461022226
  • Atomic Density: 0.0749426517294394
  • Unit Cell Volume: 173.4659729806874
  • Molar Volume: 8.035665433538895
  • Full Formula: Ti1 Fe6 Ge6
  • Reduced Formula: Ti(FeGe)6
  • Formula Anonymous: AB6C6
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm