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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-90171
  • 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: 9
  • Number of elements: 3
  • Element list: ['Pt', 'I', 'N']
  • Chemical System: I-N-Pt
  • Density: 5.889038832496893
  • Atomic Density: 0.03241988167888074
  • Unit Cell Volume: 277.6074289581033
  • Molar Volume: 18.575455702304424
  • Full Formula: Pt1 I6 N2
  • Reduced Formula: Pt(I3N)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m