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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-115119
  • 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: ['Sc', 'I', 'O']
  • Chemical System: I-O-Sc
  • Density: 4.926200053042519
  • Atomic Density: 0.04737512706406772
  • Unit Cell Volume: 126.64873683369554
  • Molar Volume: 12.71160867147852
  • Full Formula: Sc2 I2 O2
  • Reduced Formula: ScIO
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm