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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-56754
  • 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: 8
  • Number of elements: 3
  • Element list: ['Ni', 'C', 'N']
  • Chemical System: C-N-Ni
  • Density: 4.350890056773066
  • Atomic Density: 0.10616829786907704
  • Unit Cell Volume: 75.35206046032042
  • Molar Volume: 5.672258933100999
  • Full Formula: Ni2 C2 N4
  • Reduced Formula: NiCN2
  • Formula Anonymous: ABC2
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm