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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107010
  • 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: ['Si', 'P', 'Au']
  • Chemical System: Au-P-Si
  • Density: 6.8678799711169916
  • Atomic Density: 0.04846308643342808
  • Unit Cell Volume: 61.90278458886409
  • Molar Volume: 12.426242741003275
  • Full Formula: Si1 P1 Au1
  • Reduced Formula: SiPAu
  • Formula Anonymous: ABC
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m