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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30176
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Y', 'I', 'O']
  • Chemical System: I-O-Y
  • Density: 4.6480560079665825
  • Atomic Density: 0.026293000794751872
  • Unit Cell Volume: 836.7245782151742
  • Molar Volume: 22.90396903347004
  • Full Formula: Y6 I14 O2
  • Reduced Formula: Y3I7O
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm