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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-88980
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Th', 'Al']
  • Chemical System: Al-Th
  • Density: 7.120335796604993
  • Atomic Density: 0.04497849014892689
  • Unit Cell Volume: 133.397096704082
  • Molar Volume: 13.388934888788565
  • Full Formula: Th2 Al4
  • Reduced Formula: ThAl2
  • Formula Anonymous: AB2
  • Spacegroup Number: 227
  • Spacegroup Symbol: Fd-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m