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-35474
  • 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: ['Zr', 'Ti', 'Ga']
  • Chemical System: Ga-Ti-Zr
  • Density: 6.595945192939369
  • Atomic Density: 0.059687017897600614
  • Unit Cell Volume: 117.27843418160444
  • Molar Volume: 10.089531982200247
  • Full Formula: Zr1 Ti2 Ga4
  • Reduced Formula: Zr(TiGa2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm