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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-11450
  • 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: 18
  • Number of elements: 3
  • Element list: ['K', 'Ni', 'S']
  • Chemical System: K-Ni-S
  • Density: 3.4333420960186674
  • Atomic Density: 0.048644894943291085
  • Unit Cell Volume: 370.0285512176338
  • Molar Volume: 12.379800114730333
  • Full Formula: K4 Ni6 S8
  • Reduced Formula: K2Ni3S4
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 70
  • Spacegroup Symbol: Fddd1
  • Crystal System: orthorhombic
  • Pointgroup: mmm