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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-67248
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Sept. 4, 2022, 2:48 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Mg', 'Ni']
  • Chemical System: Mg-Ni
  • Density: 2.9273212305236163
  • Atomic Density: 0.05357937793041096
  • Unit Cell Volume: 74.6555886706115
  • Molar Volume: 11.239661587377093
  • Full Formula: Mg3 Ni1
  • Reduced Formula: Mg3Ni
  • Formula Anonymous: AB3
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2