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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-33746
  • 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: 23
  • Number of elements: 4
  • Element list: ['Ni', 'H', 'S', 'O']
  • Chemical System: H-Ni-O-S
  • Density: 2.0581589714986106
  • Atomic Density: 0.11548552408524343
  • Unit Cell Volume: 199.15916026863238
  • Molar Volume: 5.214628246874364
  • Full Formula: Ni1 H12 S1 O9
  • Reduced Formula: NiH12SO9
  • Formula Anonymous: ABC9D12
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3