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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['formation_energy']

Base Information:

  • Database Entry ID: oqmd-644168
  • Created at: Sept. 4, 2022, 3:33 p.m.
  • Last updated at: Sept. 4, 2022, 3:33 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 58
  • Number of elements: 2
  • Element list: ['Sb', 'Zr']
  • Chemical System: Sb-Zr
  • Density: 7.52234143685909
  • Atomic Density: 0.04111606146085526
  • Unit Cell Volume: 1410.640950014611
  • Molar Volume: 14.646686832427779
  • Full Formula: Zr22 Sb36
  • Reduced Formula: Zr11Sb18
  • Formula Anonymous: A11B18
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m