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-63053
  • 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: 6
  • Number of elements: 3
  • Element list: ['Sc', 'Ni', 'Au']
  • Chemical System: Au-Ni-Sc
  • Density: 9.982137041734347
  • Atomic Density: 0.07566309449694211
  • Unit Cell Volume: 79.2988978298064
  • Molar Volume: 7.959152080732545
  • Full Formula: Sc1 Ni4 Au1
  • Reduced Formula: ScNi4Au
  • Formula Anonymous: ABC4
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m