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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-109176
  • 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: 9
  • Number of elements: 3
  • Element list: ['K', 'Th', 'F']
  • Chemical System: F-K-Th
  • Density: 4.439685070357057
  • Atomic Density: 0.0567216997992612
  • Unit Cell Volume: 158.66943395298645
  • Molar Volume: 10.616996284160084
  • Full Formula: K2 Th1 F6
  • Reduced Formula: K2ThF6
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 71
  • Spacegroup Symbol: Immm
  • Crystal System: orthorhombic
  • Pointgroup: mmm