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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-102821
  • 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: 5
  • Number of elements: 3
  • Element list: ['Ba', 'Cu', 'N']
  • Chemical System: Ba-Cu-N
  • Density: 5.610315780476395
  • Atomic Density: 0.046128993845874926
  • Unit Cell Volume: 108.39169865065513
  • Molar Volume: 13.055001329794944
  • Full Formula: Ba2 Cu1 N2
  • Reduced Formula: Ba2CuN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm