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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-21021
  • 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: 13
  • Number of elements: 3
  • Element list: ['Th', 'Al', 'Fe']
  • Chemical System: Al-Fe-Th
  • Density: 5.687726605245196
  • Atomic Density: 0.06633389372232706
  • Unit Cell Volume: 195.9782438585296
  • Molar Volume: 9.078527464720544
  • Full Formula: Th1 Al8 Fe4
  • Reduced Formula: Th(Al2Fe)4
  • Formula Anonymous: AB4C8
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm