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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1610089
  • Created at: Sept. 4, 2022, 3:58 p.m.
  • Last updated at: Sept. 4, 2022, 3:58 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['Mo', 'Zr']
  • Chemical System: Mo-Zr
  • Density: 8.536012886077636
  • Atomic Density: 0.054472989940337675
  • Unit Cell Volume: 440.58532542983863
  • Molar Volume: 11.055278527203734
  • Full Formula: Zr8 Mo16
  • Reduced Formula: ZrMo2
  • Formula Anonymous: AB2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm