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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-60927
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 32
  • Number of elements: 3
  • Element list: ['K', 'As', 'Se']
  • Chemical System: As-K-Se
  • Density: 3.3377120789347305
  • Atomic Density: 0.03165029395375258
  • Unit Cell Volume: 1011.0490615587461
  • Molar Volume: 19.027124262414606
  • Full Formula: K12 As4 Se16
  • Reduced Formula: K3AsSe4
  • Formula Anonymous: AB3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm