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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12131
  • 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: 6
  • Number of elements: 3
  • Element list: ['Hf', 'I', 'N']
  • Chemical System: Hf-I-N
  • Density: 8.491416831987985
  • Atomic Density: 0.04803035702568334
  • Unit Cell Volume: 124.92099521124966
  • Molar Volume: 12.538196950690525
  • Full Formula: Hf2 I2 N2
  • Reduced Formula: HfIN
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m