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-20959
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Y', 'Al', 'Ni']
  • Chemical System: Al-Ni-Y
  • Density: 4.2928858707326345
  • Atomic Density: 0.05655886430949904
  • Unit Cell Volume: 353.6138896028188
  • Molar Volume: 10.647563089396378
  • Full Formula: Y4 Al12 Ni4
  • Reduced Formula: YAl3Ni
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm