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  1. Third-Parties
  2. MatprojStructure
  3. mp-38442

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-38442
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 14
  • Number of elements: 3
  • Element list: ['Cs', 'Nd', 'Se']
  • Chemical System: Cs-Nd-Se
  • Density: 6.4370497338578785
  • Atomic Density: 0.03652639221390295
  • Unit Cell Volume: 383.2845006431053
  • Molar Volume: 16.48709438570779
  • Full Formula: Cs1 Nd5 Se8
  • Reduced Formula: CsNd5Se8
  • Formula Anonymous: AB5C8
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -81.16615843999999
  • Final energy per atom: -5.797582745714285
  • 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.