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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-91506
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Ni', 'Se', 'Br', 'O']
  • Chemical System: Br-Ni-O-Se
  • Density: 4.740947144759112
  • Atomic Density: 0.0683237587064112
  • Unit Cell Volume: 336.63253362320916
  • Molar Volume: 8.814123921193037
  • Full Formula: Ni5 Se4 Br2 O12
  • Reduced Formula: Ni5Se4(BrO6)2
  • Formula Anonymous: A2B4C5D12
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1