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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-15643
  • Created at: Sept. 4, 2022, 2:53 p.m.
  • Last updated at: Sept. 4, 2022, 2:53 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 81
  • Number of elements: 3
  • Element list: ['Ca', 'H', 'Mg']
  • Chemical System: Ca-H-Mg
  • Density: 1.9469158474252701
  • Atomic Density: 0.0939963368855026
  • Unit Cell Volume: 861.7357088996616
  • Molar Volume: 6.406782391249565
  • Full Formula: Ca19 Mg8 H54
  • Reduced Formula: Ca19(Mg4H27)2
  • Formula Anonymous: A8B19C54
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3