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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1759380
  • Created at: Sept. 4, 2022, 4:03 p.m.
  • Last updated at: Sept. 4, 2022, 4:03 p.m.
  • Input Source: OQMD

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['H', 'Na', 'Ti']
  • Chemical System: H-Na-Ti
  • Density: 2.4354099993492766
  • Atomic Density: 0.09925734196486395
  • Unit Cell Volume: 201.4964294236268
  • Molar Volume: 6.067199303132432
  • Full Formula: Na4 Ti4 H12
  • Reduced Formula: NaTiH3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm