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-71896
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ti', 'Be', 'Ga']
  • Chemical System: Be-Ga-Ti
  • Density: 5.676649826552531
  • Atomic Density: 0.06965094128891267
  • Unit Cell Volume: 57.4292310481199
  • Molar Volume: 8.64617282775851
  • Full Formula: Ti1 Be1 Ga2
  • Reduced Formula: TiBeGa2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 119
  • Spacegroup Symbol: I-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2