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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36498
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'N']
  • Chemical System: Ba-N-P
  • Density: 3.4886104968509635
  • Atomic Density: 0.02298760970362777
  • Unit Cell Volume: 217.50847802200718
  • Molar Volume: 26.197333422837872
  • Full Formula: Ba3 P1 N1
  • Reduced Formula: Ba3PN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m