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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36686
  • 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: 20
  • Number of elements: 3
  • Element list: ['Ba', 'W', 'N']
  • Chemical System: Ba-N-W
  • Density: 7.102998486112358
  • Atomic Density: 0.058888733542873266
  • Unit Cell Volume: 339.623537419755
  • Molar Volume: 10.22630373875446
  • Full Formula: Ba4 W4 N12
  • Reduced Formula: BaWN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m