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-37275
  • 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: 29
  • Number of elements: 3
  • Element list: ['Sc', 'Al', 'Ir']
  • Chemical System: Al-Ir-Sc
  • Density: 7.172181011389036
  • Atomic Density: 0.06119148308305271
  • Unit Cell Volume: 473.92216267481996
  • Molar Volume: 9.84146887210822
  • Full Formula: Sc6 Al16 Ir7
  • Reduced Formula: Sc6Al16Ir7
  • Formula Anonymous: A6B7C16
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m