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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12111
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Cr', 'P', 'S']
  • Chemical System: Cr-P-S
  • Density: 2.8728949808026107
  • Atomic Density: 0.04914355708589064
  • Unit Cell Volume: 244.1825686127482
  • Molar Volume: 12.254181661036064
  • Full Formula: Cr2 P2 S8
  • Reduced Formula: CrPS4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m