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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-55970
  • 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: 20
  • Number of elements: 2
  • Element list: ['Ti', 'Br']
  • Chemical System: Br-Ti
  • Density: 3.5635702801546802
  • Atomic Density: 0.029199067497898332
  • Unit Cell Volume: 684.9533808379169
  • Molar Volume: 20.624428367219114
  • Full Formula: Ti4 Br16
  • Reduced Formula: TiBr4
  • Formula Anonymous: AB4
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m