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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-4606
  • 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: 12
  • Number of elements: 2
  • Element list: ['P', 'Ti']
  • Chemical System: P-Ti
  • Density: 4.293642457406096
  • Atomic Density: 0.07063797661376944
  • Unit Cell Volume: 169.88029067725083
  • Molar Volume: 8.525358523401001
  • Full Formula: Ti4 P8
  • Reduced Formula: TiP2
  • Formula Anonymous: AB2
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm