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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106047
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Li', 'I', 'Br']
  • Chemical System: Br-I-Li
  • Density: 3.2532521531461334
  • Atomic Density: 0.035509539493553136
  • Unit Cell Volume: 112.64578637315789
  • Molar Volume: 16.959219539001168
  • Full Formula: Li2 I1 Br1
  • Reduced Formula: Li2IBr
  • Formula Anonymous: ABC2
  • Spacegroup Number: 156
  • Spacegroup Symbol: P3m1
  • Crystal System: trigonal
  • Pointgroup: 3m1