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Entry Data

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

Base Information:

  • Database Entry ID: jvasp-107097
  • 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', 'Se']
  • Chemical System: Cr-P-Se
  • Density: 4.750394516665369
  • Atomic Density: 0.0447202701228259
  • Unit Cell Volume: 223.6122450185257
  • Molar Volume: 13.466244151611704
  • Full Formula: Cr2 P2 Se6
  • Reduced Formula: CrPSe3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m