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-99973
  • 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: 6
  • Number of elements: 4
  • Element list: ['La', 'Al', 'Cu', 'Ni']
  • Chemical System: Al-Cu-La-Ni
  • Density: 7.246575775189356
  • Atomic Density: 0.0645698809840604
  • Unit Cell Volume: 92.92258106347057
  • Molar Volume: 9.326547715778839
  • Full Formula: La1 Al1 Cu1 Ni3
  • Reduced Formula: LaAlCuNi3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 10
  • Spacegroup Symbol: P12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m