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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-59852
  • 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: 30
  • Number of elements: 5
  • Element list: ['Y', 'Ni', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Ni-O-Se-Y
  • Density: 4.795285523389348
  • Atomic Density: 0.07387484037905544
  • Unit Cell Volume: 406.0922479976745
  • Molar Volume: 8.151815596622747
  • Full Formula: Y2 Ni6 Se4 Cl2 O16
  • Reduced Formula: YNi3Se2ClO8
  • Formula Anonymous: ABC2D3E8
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm