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  1. Third-Parties
  2. MatprojStructure
  3. mp-23228

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-23228
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 2
  • Element list: ['P', 'Cl']
  • Chemical System: Cl-P
  • Density: 1.9146611792703154
  • Atomic Density: 0.0332225154121635
  • Unit Cell Volume: 722.4016514779934
  • Molar Volume: 18.126685126903908
  • Full Formula: P4 Cl20
  • Reduced Formula: PCl5
  • Formula Anonymous: AB5
  • Spacegroup Number: 85
  • Spacegroup Symbol: P4/n1
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -84.68058795
  • Final energy per atom: -3.52835783125
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.