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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-36987
  • 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: 5
  • Number of elements: 3
  • Element list: ['Tl', 'Ge', 'Cl']
  • Chemical System: Cl-Ge-Tl
  • Density: 4.313131862899109
  • Atomic Density: 0.03387517786266557
  • Unit Cell Volume: 147.60070102866052
  • Molar Volume: 17.77744395738541
  • Full Formula: Tl1 Ge1 Cl3
  • Reduced Formula: TlGeCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m