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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114925
  • 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: 4
  • Number of elements: 3
  • Element list: ['Zn', 'N', 'F']
  • Chemical System: F-N-Zn
  • Density: 6.011503821108302
  • Atomic Density: 0.08839320338916089
  • Unit Cell Volume: 45.25234799319984
  • Molar Volume: 6.812900233388824
  • Full Formula: Zn2 N1 F1
  • Reduced Formula: Zn2NF
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m