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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-96803
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 46
  • Number of elements: 6
  • Element list: ['K', 'Ca', 'Si', 'S', 'O', 'F']
  • Chemical System: Ca-F-K-O-S-Si
  • Density: 3.0448225391898527
  • Atomic Density: 0.07454531327223954
  • Unit Cell Volume: 617.0743401668723
  • Molar Volume: 8.07849681710658
  • Full Formula: K1 Ca12 Si4 S2 O26 F1
  • Reduced Formula: KCa12Si4S2O26F
  • Formula Anonymous: ABC2D4E12F26
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m