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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107110
  • 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: 10
  • Number of elements: 3
  • Element list: ['K', 'Tl', 'I']
  • Chemical System: I-K-Tl
  • Density: 4.405191334610607
  • Atomic Density: 0.02125031590762403
  • Unit Cell Volume: 470.5812395199393
  • Molar Volume: 28.339064634043492
  • Full Formula: K2 Tl2 I6
  • Reduced Formula: KTlI3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m