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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-57164
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Ba', 'P', 'S']
  • Chemical System: Ba-P-S
  • Density: 3.6165007356410017
  • Atomic Density: 0.03876084147588758
  • Unit Cell Volume: 335.39003553591755
  • Molar Volume: 15.536661565374597
  • Full Formula: Ba3 P2 S8
  • Reduced Formula: Ba3(PS4)2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1