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-52302
  • 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: 1
  • Element list: ['Ta']
  • Chemical System: Ta
  • Density: 14.87231391646594
  • Atomic Density: 0.0494966660359966
  • Unit Cell Volume: 80.81352382584693
  • Molar Volume: 12.166760394771599
  • Full Formula: Ta4
  • Reduced Formula: Ta
  • Formula Anonymous: A
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm