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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1282731
  • Created at: Sept. 4, 2022, 3:42 p.m.
  • Last updated at: Sept. 4, 2022, 3:42 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 80
  • Number of elements: 4
  • Element list: ['Mg', 'Ni', 'O', 'Si']
  • Chemical System: Mg-Ni-O-Si
  • Density: 4.422949488598066
  • Atomic Density: 0.11418095211397968
  • Unit Cell Volume: 700.6422570389939
  • Molar Volume: 5.274207867866152
  • Full Formula: Mg12 Si12 Ni8 O48
  • Reduced Formula: Mg3Si3(NiO6)2
  • Formula Anonymous: A2B3C3D12
  • Spacegroup Number: 230
  • Spacegroup Symbol: Ia-3d
  • Crystal System: cubic
  • Pointgroup: m-3m