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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116176
  • 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: ['Zr', 'I', 'N']
  • Chemical System: I-N-Zr
  • Density: 6.026706224723167
  • Atomic Density: 0.04690414625710541
  • Unit Cell Volume: 127.92046074372526
  • Molar Volume: 12.839250344712799
  • Full Formula: Zr2 I2 N2
  • Reduced Formula: ZrIN
  • Formula Anonymous: ABC
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m