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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59572
  • 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: 10
  • Number of elements: 3
  • Element list: ['Zr', 'Ni', 'O']
  • Chemical System: Ni-O-Zr
  • Density: 7.14960546530774
  • Atomic Density: 0.061797188615824145
  • Unit Cell Volume: 161.81965917846532
  • Molar Volume: 9.745007653079442
  • Full Formula: Zr6 Ni2 O2
  • Reduced Formula: Zr3NiO
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm