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  1. Third-Parties
  2. MatprojStructure
  3. mp-554826

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-554826
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Pr', 'Si', 'Cl', 'O']
  • Chemical System: Cl-O-Pr-Si
  • Density: 5.184756223783353
  • Atomic Density: 0.0680519945878989
  • Unit Cell Volume: 411.4501003175445
  • Molar Volume: 8.849322927958477
  • Full Formula: Pr6 Si4 Cl2 O16
  • Reduced Formula: Pr3Si2ClO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -233.54323387
  • Final energy per atom: -8.34082978107143
  • 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.