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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55811
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ni', 'Se', 'O']
  • Chemical System: Ni-O-Se
  • Density: 5.576116692642306
  • Atomic Density: 0.09043864860007188
  • Unit Cell Volume: 221.14439246479523
  • Molar Volume: 6.658813298538401
  • Full Formula: Ni4 Se4 O12
  • Reduced Formula: NiSeO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm