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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-100902
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Tl', 'Au', 'Cl']
  • Chemical System: Au-Cl-K-Tl
  • Density: 3.9156984752814146
  • Atomic Density: 0.034063408503508086
  • Unit Cell Volume: 293.5701516473353
  • Molar Volume: 17.679207761547993
  • Full Formula: K2 Tl1 Au1 Cl6
  • Reduced Formula: K2TlAuCl6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m