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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-113741
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 4
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'Au']
  • Chemical System: Au-Ba-P
  • Density: 5.673932704008259
  • Atomic Density: 0.02719427523197694
  • Unit Cell Volume: 147.08978142931048
  • Molar Volume: 22.144884203123542
  • Full Formula: Ba2 P1 Au1
  • Reduced Formula: Ba2PAu
  • Formula Anonymous: ABC2
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m