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-35419
  • 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: 7
  • Number of elements: 3
  • Element list: ['Ti', 'Ga', 'Co']
  • Chemical System: Co-Ga-Ti
  • Density: 7.018797998071061
  • Atomic Density: 0.064968698875974
  • Unit Cell Volume: 107.74419252820626
  • Molar Volume: 9.269295621105691
  • Full Formula: Ti1 Ga5 Co1
  • Reduced Formula: TiGa5Co
  • Formula Anonymous: ABC5
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm