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-1340385
  • Created at: Sept. 4, 2022, 3:46 p.m.
  • Last updated at: Sept. 4, 2022, 3:46 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Tc', 'Zr']
  • Chemical System: Tc-Zr
  • Density: 9.263966868680576
  • Atomic Density: 0.05827045702843459
  • Unit Cell Volume: 411.87252038007136
  • Molar Volume: 10.334809553769826
  • Full Formula: Zr8 Tc16
  • Reduced Formula: ZrTc2
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm