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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1523144
  • Created at: Sept. 4, 2022, 3:54 p.m.
  • Last updated at: Sept. 4, 2022, 3:54 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Si', 'Zn', 'Zr']
  • Chemical System: Si-Zn-Zr
  • Density: 6.199339863152405
  • Atomic Density: 0.060632742179940566
  • Unit Cell Volume: 197.91286965691648
  • Molar Volume: 9.932159660745699
  • Full Formula: Zr4 Zn4 Si4
  • Reduced Formula: ZrZnSi
  • Formula Anonymous: ABC
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm