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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-4134
  • 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: 3
  • Element list: ['Ca', 'B', 'N']
  • Chemical System: B-Ca-N
  • Density: 2.807195162194993
  • Atomic Density: 0.06837731633564466
  • Unit Cell Volume: 102.37313154612569
  • Molar Volume: 8.80722011732522
  • Full Formula: Ca3 B1 N3
  • Reduced Formula: Ca3BN3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 123
  • Spacegroup Symbol: P4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm