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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-116497
  • 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: 22
  • Number of elements: 3
  • Element list: ['Tl', 'Si', 'F']
  • Chemical System: F-Si-Tl
  • Density: 7.001867555472533
  • Atomic Density: 0.05990881436694622
  • Unit Cell Volume: 367.22476037079053
  • Molar Volume: 10.052178170500776
  • Full Formula: Tl6 Si2 F14
  • Reduced Formula: Tl3SiF7
  • Formula Anonymous: AB3C7
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm