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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-15863
  • Created at: Sept. 4, 2022, 3:17 p.m.
  • Last updated at: Sept. 4, 2022, 3:17 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['Co', 'H', 'Zr']
  • Chemical System: Co-H-Zr
  • Density: 6.165230447121357
  • Atomic Density: 0.1205348615692128
  • Unit Cell Volume: 265.48335961397487
  • Molar Volume: 4.9961817532283
  • Full Formula: Zr8 Co4 H20
  • Reduced Formula: Zr2CoH5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm