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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1742717
  • Created at: Sept. 4, 2022, 4:02 p.m.
  • Last updated at: Sept. 4, 2022, 4:02 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Sb', 'Zn', 'Zr']
  • Chemical System: Sb-Zn-Zr
  • Density: 5.09803448372673
  • Atomic Density: 0.030689342597402428
  • Unit Cell Volume: 260.676812304123
  • Molar Volume: 19.62290570704411
  • Full Formula: Zr2 Zn2 Sb4
  • Reduced Formula: ZrZnSb2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m