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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-914004
  • Created at: Sept. 4, 2022, 3:38 p.m.
  • Last updated at: Sept. 4, 2022, 3:38 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Mo', 'Zn', 'Zr']
  • Chemical System: Mo-Zn-Zr
  • Density: 7.227263449820653
  • Atomic Density: 0.051696259480780604
  • Unit Cell Volume: 58.03127789381601
  • Molar Volume: 11.649084131974545
  • Full Formula: Zr1 Zn1 Mo1
  • Reduced Formula: ZrZnMo
  • Formula Anonymous: ABC
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m