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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-98891
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['P', 'Br', 'N']
  • Chemical System: Br-N-P
  • Density: 3.3283952356319064
  • Atomic Density: 0.03915076938429375
  • Unit Cell Volume: 1021.6912880401002
  • Molar Volume: 15.38192187460797
  • Full Formula: P10 Br20 N10
  • Reduced Formula: PBr2N
  • Formula Anonymous: ABC2
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1