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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114443
  • 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: 6
  • Number of elements: 3
  • Element list: ['Ni', 'As', 'O']
  • Chemical System: As-Ni-O
  • Density: 3.6165799809105144
  • Atomic Density: 0.06612803147886658
  • Unit Cell Volume: 90.73308044739697
  • Molar Volume: 9.106789700710474
  • Full Formula: Ni1 As1 O4
  • Reduced Formula: NiAsO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4