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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-29924
  • 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: 22
  • Number of elements: 3
  • Element list: ['Th', 'Fe', 'Br']
  • Chemical System: Br-Fe-Th
  • Density: 5.756084024775413
  • Atomic Density: 0.028814223862968603
  • Unit Cell Volume: 763.5118025259014
  • Molar Volume: 20.89988884878319
  • Full Formula: Th6 Fe1 Br15
  • Reduced Formula: Th6FeBr15
  • Formula Anonymous: AB6C15
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m