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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57834
  • 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: ['K', 'Ni', 'S']
  • Chemical System: K-Ni-S
  • Density: 4.098792865490285
  • Atomic Density: 0.055942470824971495
  • Unit Cell Volume: 89.37753242332853
  • Molar Volume: 10.764881620694968
  • Full Formula: K1 Ni2 S2
  • Reduced Formula: K(NiS)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm