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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21838
  • 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: 14
  • Number of elements: 3
  • Element list: ['Ba', 'Cr', 'N']
  • Chemical System: Ba-Cr-N
  • Density: 5.152897482297617
  • Atomic Density: 0.04292915411326144
  • Unit Cell Volume: 326.1187015952685
  • Molar Volume: 14.028090896251022
  • Full Formula: Ba6 Cr2 N6
  • Reduced Formula: Ba3CrN3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m