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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-52781
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Zr', 'Ti', 'H']
  • Chemical System: H-Ti-Zr
  • Density: 4.678538237654003
  • Atomic Density: 0.10326402357671924
  • Unit Cell Volume: 135.57480635643452
  • Molar Volume: 5.83178976705851
  • Full Formula: Zr2 Ti4 H8
  • Reduced Formula: Zr(TiH2)2
  • Formula Anonymous: AB2C4
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m