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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55269
  • 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: 28
  • Number of elements: 3
  • Element list: ['K', 'As', 'Se']
  • Chemical System: As-K-Se
  • Density: 3.1477514002375866
  • Atomic Density: 0.030923909683225316
  • Unit Cell Volume: 905.4482530450737
  • Molar Volume: 19.47406010976262
  • Full Formula: K12 As4 Se12
  • Reduced Formula: K3AsSe3
  • Formula Anonymous: AB3C3
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23