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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109850
  • 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: 10
  • Number of elements: 4
  • Element list: ['K', 'Y', 'Hg', 'Cl']
  • Chemical System: Cl-Hg-K-Y
  • Density: 2.9373254091830456
  • Atomic Density: 0.030476686072998572
  • Unit Cell Volume: 328.11966419340126
  • Molar Volume: 19.75982803896594
  • Full Formula: K2 Y1 Hg1 Cl6
  • Reduced Formula: K2YHgCl6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m