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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-14408
  • 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: 7
  • Number of elements: 4
  • Element list: ['Ni', 'C', 'S', 'N']
  • Chemical System: C-N-Ni-S
  • Density: 2.6323611456662563
  • Atomic Density: 0.06346121914262375
  • Unit Cell Volume: 110.30358531669695
  • Molar Volume: 9.489481672997401
  • Full Formula: Ni1 C2 S2 N2
  • Reduced Formula: NiC2(SN)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m