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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107150
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 7
  • Number of elements: 4
  • Element list: ['La', 'Cu', 'N', 'F']
  • Chemical System: Cu-F-La-N
  • Density: 6.437510809218932
  • Atomic Density: 0.06661636220592043
  • Unit Cell Volume: 105.07928935479886
  • Molar Volume: 9.040032449362405
  • Full Formula: La2 Cu1 N2 F2
  • Reduced Formula: La2Cu(NF)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm