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  1. Third-Parties
  2. MatprojStructure
  3. mp-662607

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-662607
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 4
  • Element list: ['Ce', 'P', 'Cl', 'O']
  • Chemical System: Ce-Cl-O-P
  • Density: 2.168083471185741
  • Atomic Density: 0.04338674912754571
  • Unit Cell Volume: 2858.0154654010234
  • Molar Volume: 13.880138247501511
  • Full Formula: Ce4 P16 Cl52 O52
  • Reduced Formula: CeP4(ClO)13
  • Formula Anonymous: AB4C13D13
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -624.68150168
  • Final energy per atom: -5.037754045806452
  • 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.