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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-16142
  • 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: 3
  • Element list: ['Sc', 'Ge', 'Au']
  • Chemical System: Au-Ge-Sc
  • Density: 9.200478004829412
  • Atomic Density: 0.05284155959799351
  • Unit Cell Volume: 113.54698925706634
  • Molar Volume: 11.396599203004355
  • Full Formula: Sc2 Ge2 Au2
  • Reduced Formula: ScGeAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 186
  • Spacegroup Symbol: P6_3mc
  • Crystal System: hexagonal
  • Pointgroup: 6mm