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-85373
  • 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: 5
  • Number of elements: 3
  • Element list: ['Y', 'Al', 'Ni']
  • Chemical System: Al-Ni-Y
  • Density: 5.681031094061171
  • Atomic Density: 0.05309448883124583
  • Unit Cell Volume: 94.1717325105412
  • Molar Volume: 11.342308575830947
  • Full Formula: Y2 Al1 Ni2
  • Reduced Formula: Y2AlNi2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm