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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-12172
  • 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: 10
  • Number of elements: 3
  • Element list: ['Cr', 'P', 'S']
  • Chemical System: Cr-P-S
  • Density: 2.302220148946212
  • Atomic Density: 0.04097030194263868
  • Unit Cell Volume: 244.07923607691998
  • Molar Volume: 14.698795162484823
  • Full Formula: Cr1 P2 S7
  • Reduced Formula: CrP2S7
  • Formula Anonymous: AB2C7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2