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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-30317
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Ni', 'P', 'S']
  • Chemical System: Ni-P-S
  • Density: 2.850002739477125
  • Atomic Density: 0.04934594226384884
  • Unit Cell Volume: 182.38581709267427
  • Molar Volume: 12.203922923996648
  • Full Formula: Ni1 P2 S6
  • Reduced Formula: Ni(PS3)2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2