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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101248
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Fe', 'Cu', 'N']
  • Chemical System: Cu-Fe-N
  • Density: 5.4676519123155645
  • Atomic Density: 0.08100139398695977
  • Unit Cell Volume: 61.727332751889904
  • Molar Volume: 7.434613731424784
  • Full Formula: Fe2 Cu1 N2
  • Reduced Formula: Fe2CuN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm