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  1. Third-Parties
  2. MatprojStructure
  3. mp-569618

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-569618
  • 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: 40
  • Number of elements: 4
  • Element list: ['Na', 'Ce', 'P', 'Se']
  • Chemical System: Ce-Na-P-Se
  • Density: 4.411082787749266
  • Atomic Density: 0.038013245764595936
  • Unit Cell Volume: 1052.264788113791
  • Molar Volume: 15.842216677032058
  • Full Formula: Na4 Ce4 P8 Se24
  • Reduced Formula: NaCe(PSe3)2
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -197.33108686000003
  • Final energy per atom: -4.9332771715
  • 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.