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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106284
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Zr', 'Ni', 'H']
  • Chemical System: H-Ni-Zr
  • Density: 7.152423405727785
  • Atomic Density: 0.08561763161698968
  • Unit Cell Volume: 70.07902328857902
  • Molar Volume: 7.033762376119017
  • Full Formula: Zr2 Ni2 H2
  • Reduced Formula: ZrNiH
  • Formula Anonymous: ABC
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm