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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-31786
  • Created at: Sept. 4, 2022, 2:49 p.m.
  • Last updated at: Sept. 4, 2022, 2:49 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 150
  • Number of elements: 2
  • Element list: ['Mg', 'Ti']
  • Chemical System: Mg-Ti
  • Density: 1.7794793394129516
  • Atomic Density: 0.04380770181914181
  • Unit Cell Volume: 3424.055446215108
  • Molar Volume: 13.746762578101327
  • Full Formula: Mg149 Ti1
  • Reduced Formula: Mg149Ti
  • Formula Anonymous: AB149
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2