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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227491

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-1227491
  • 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: 38
  • Number of elements: 4
  • Element list: ['Ce', 'P', 'S', 'O']
  • Chemical System: Ce-O-P-S
  • Density: 2.93847395310487
  • Atomic Density: 0.056253557458608675
  • Unit Cell Volume: 675.5128336187515
  • Molar Volume: 10.70535097168048
  • Full Formula: Ce4 P5 S1 O28
  • Reduced Formula: Ce4P5SO28
  • Formula Anonymous: AB4C5D28
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -287.5780919
  • Final energy per atom: -7.567844523684211
  • 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.