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-1347538
  • 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: 40
  • Number of elements: 3
  • Element list: ['P', 'Te', 'Zr']
  • Chemical System: P-Te-Zr
  • Density: 4.827385464349489
  • Atomic Density: 0.027782861165798475
  • Unit Cell Volume: 1439.736525381381
  • Molar Volume: 21.67574003289997
  • Full Formula: Zr4 Te28 P8
  • Reduced Formula: ZrTe7P2
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm