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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-39373
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 2
  • Element list: ['Ni', 'I']
  • Chemical System: I-Ni
  • Density: 9.038237480265892
  • Atomic Density: 0.07185781161440095
  • Unit Cell Volume: 55.665485910767195
  • Molar Volume: 8.380634790710921
  • Full Formula: Ni3 I1
  • Reduced Formula: Ni3I
  • Formula Anonymous: AB3
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm