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-68552
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Be', 'Ga', 'Ir']
  • Chemical System: Be-Ga-Ir
  • Density: 10.034774044037617
  • Atomic Density: 0.08634073414982565
  • Unit Cell Volume: 46.32807491605139
  • Molar Volume: 6.974854707107167
  • Full Formula: Be2 Ga1 Ir1
  • Reduced Formula: Be2GaIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm