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-122093
  • 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: 18
  • Number of elements: 3
  • Element list: ['Ti', 'Sn', 'Au']
  • Chemical System: Au-Sn-Ti
  • Density: 7.819892796903495
  • Atomic Density: 0.05348505449383907
  • Unit Cell Volume: 336.54261307845195
  • Molar Volume: 11.259483264981416
  • Full Formula: Ti10 Sn6 Au2
  • Reduced Formula: Ti5Sn3Au
  • Formula Anonymous: AB3C5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm