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-80070
  • 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', 'Cu', 'Ir']
  • Chemical System: Be-Cu-Ir
  • Density: 10.855214103826375
  • Atomic Density: 0.09550715033842208
  • Unit Cell Volume: 41.88168096133446
  • Molar Volume: 6.305434450364206
  • Full Formula: Be2 Cu1 Ir1
  • Reduced Formula: Be2CuIr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m