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-92693
  • 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: ['Pr', 'Al', 'Ni']
  • Chemical System: Al-Ni-Pr
  • Density: 6.8637713347420135
  • Atomic Density: 0.0484938807978841
  • Unit Cell Volume: 103.10579227179858
  • Molar Volume: 12.418351884641824
  • Full Formula: Pr2 Al1 Ni2
  • Reduced Formula: Pr2AlNi2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm