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-13119
  • 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: 18
  • Number of elements: 2
  • Element list: ['Ti', 'Ga']
  • Chemical System: Ga-Ti
  • Density: 5.968034963228784
  • Atomic Density: 0.06241726494263487
  • Unit Cell Volume: 288.38174848806744
  • Molar Volume: 9.648197122278107
  • Full Formula: Ti10 Ga8
  • Reduced Formula: Ti5Ga4
  • Formula Anonymous: A4B5
  • Spacegroup Number: 193
  • Spacegroup Symbol: P6_3/mcm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm