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-757936
  • 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: 12
  • Number of elements: 2
  • Element list: ['Sn', 'Zr']
  • Chemical System: Sn-Zr
  • Density: 7.541204290065267
  • Atomic Density: 0.04326521073326196
  • Unit Cell Volume: 277.3591020735395
  • Molar Volume: 13.919129614617187
  • Full Formula: Zr6 Sn6
  • Reduced Formula: ZrSn
  • Formula Anonymous: AB
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2