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  1. Third-Parties
  2. MatprojStructure
  3. mp-32644

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-32644
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 51
  • Number of elements: 2
  • Element list: ['Pr', 'Cl']
  • Chemical System: Cl-Pr
  • Density: 4.154322077592039
  • Atomic Density: 0.03763842490028153
  • Unit Cell Volume: 1354.998253383832
  • Molar Volume: 15.999980806728594
  • Full Formula: Pr15 Cl36
  • Reduced Formula: Pr5Cl12
  • Formula Anonymous: A5B12
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -266.09375861
  • Final energy per atom: -5.217524678627451
  • 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.