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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-114924
  • 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: 4.4671901530627105
  • Atomic Density: 0.09164968447595072
  • Unit Cell Volume: 43.644449218476225
  • Molar Volume: 6.570825414658396
  • Full Formula: Zn1 N1 F2
  • Reduced Formula: ZnNF2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm