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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-101974
  • 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: 42
  • Number of elements: 4
  • Element list: ['Sn', 'H', 'C', 'F']
  • Chemical System: C-F-H-Sn
  • Density: 2.2679846088910733
  • Atomic Density: 0.11907875446884729
  • Unit Cell Volume: 352.7077536823565
  • Molar Volume: 5.05727557099657
  • Full Formula: Sn2 H24 C12 F4
  • Reduced Formula: SnH12(C3F)2
  • Formula Anonymous: AB2C6D12
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m