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: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-402325
  • Created at: Sept. 4, 2022, 3:16 p.m.
  • Last updated at: Sept. 4, 2022, 3:16 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ac', 'Al', 'Cu']
  • Chemical System: Ac-Al-Cu
  • Density: 7.687594206544139
  • Atomic Density: 0.03400803166179345
  • Unit Cell Volume: 117.61927416969053
  • Molar Volume: 17.707995628472712
  • Full Formula: Ac2 Al1 Cu1
  • Reduced Formula: Ac2AlCu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m