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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-112889
  • 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: 16
  • Number of elements: 3
  • Element list: ['Zr', 'Cu', 'H']
  • Chemical System: Cu-H-Zr
  • Density: 6.072249442531323
  • Atomic Density: 0.11653555960141528
  • Unit Cell Volume: 137.2971482243235
  • Molar Volume: 5.167642203459127
  • Full Formula: Zr4 Cu2 H10
  • Reduced Formula: Zr2CuH5
  • Formula Anonymous: AB2C5
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m