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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29863
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ni', 'H', 'O']
  • Chemical System: H-Ni-O
  • Density: 3.9812847158763387
  • Atomic Density: 0.12930834600894262
  • Unit Cell Volume: 38.66726436709827
  • Molar Volume: 4.6571941764559615
  • Full Formula: Ni1 H2 O2
  • Reduced Formula: Ni(HO)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1