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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-120095
  • 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', 'Mo', 'Cl']
  • Chemical System: Cl-Mo-Tl
  • Density: 5.267591929575078
  • Atomic Density: 0.039001181114968156
  • Unit Cell Volume: 128.20124563050896
  • Molar Volume: 15.440918935885199
  • Full Formula: Tl1 Mo1 Cl3
  • Reduced Formula: TlMoCl3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m