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Entry Data

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

Base Information:

  • Database Entry ID: oqmd-1718921
  • 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: 9
  • Number of elements: 3
  • Element list: ['H', 'Ti', 'Zn']
  • Chemical System: H-Ti-Zn
  • Density: 4.2244014582233005
  • Atomic Density: 0.12394098950388695
  • Unit Cell Volume: 72.61520208952139
  • Molar Volume: 4.858877425543822
  • Full Formula: Ti1 Zn2 H6
  • Reduced Formula: Ti(ZnH3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m