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-81645
  • 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: 4
  • Number of elements: 3
  • Element list: ['Y', 'Sc', 'Au']
  • Chemical System: Au-Sc-Y
  • Density: 9.299480212412046
  • Atomic Density: 0.04244283440657226
  • Unit Cell Volume: 94.24441265356683
  • Molar Volume: 14.188827971082615
  • Full Formula: Y1 Sc1 Au2
  • Reduced Formula: YScAu2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m