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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16125
  • 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: 3
  • Number of elements: 3
  • Element list: ['Th', 'Si', 'Au']
  • Chemical System: Au-Si-Th
  • Density: 11.267991488835467
  • Atomic Density: 0.044536575970359156
  • Unit Cell Volume: 67.36036470330853
  • Molar Volume: 13.521786596275321
  • Full Formula: Th1 Si1 Au1
  • Reduced Formula: ThSiAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2