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-758091
  • Created at: Sept. 4, 2022, 3:22 p.m.
  • Last updated at: Sept. 4, 2022, 3:22 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Tc', 'Zr']
  • Chemical System: Tc-Zr
  • Density: 7.775603909764956
  • Atomic Density: 0.05039473649324446
  • Unit Cell Volume: 158.74673739136267
  • Molar Volume: 11.949939972019267
  • Full Formula: Zr6 Tc2
  • Reduced Formula: Zr3Tc
  • Formula Anonymous: AB3
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm