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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-106717
  • 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: 8
  • Number of elements: 3
  • Element list: ['Th', 'U', 'Al']
  • Chemical System: Al-Th-U
  • Density: 6.39860150194184
  • Atomic Density: 0.048779682930681696
  • Unit Cell Volume: 164.00270603169744
  • Molar Volume: 12.345592259297288
  • Full Formula: Th1 U1 Al6
  • Reduced Formula: ThUAl6
  • Formula Anonymous: ABC6
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2