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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12437
  • 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: 11
  • Number of elements: 4
  • Element list: ['K', 'In', 'P', 'S']
  • Chemical System: In-K-P-S
  • Density: 2.6582777951254384
  • Atomic Density: 0.03999232922564319
  • Unit Cell Volume: 275.0527466889018
  • Molar Volume: 15.058239608956276
  • Full Formula: K1 In1 P2 S7
  • Reduced Formula: KInP2S7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2