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-984223
  • Created at: Sept. 4, 2022, 3:43 p.m.
  • Last updated at: Sept. 4, 2022, 3:43 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Au', 'Tc', 'W']
  • Chemical System: Au-Tc-W
  • Density: 25.200160720150155
  • Atomic Density: 0.08827163544574154
  • Unit Cell Volume: 56.6433370669039
  • Molar Volume: 6.822282978660415
  • Full Formula: Tc1 W2 Au2
  • Reduced Formula: Tc(WAu)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m