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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56869
  • 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: ['Y', 'Fe', 'I']
  • Chemical System: Fe-I-Y
  • Density: 5.031034492470746
  • Atomic Density: 0.027530261636542562
  • Unit Cell Volume: 726.473299238566
  • Molar Volume: 21.87462233198123
  • Full Formula: Y7 Fe1 I12
  • Reduced Formula: Y7FeI12
  • Formula Anonymous: AB7C12
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3