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  1. Third-Parties
  2. MatprojStructure
  3. mp-1229267

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-1229267
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 4
  • Element list: ['Ce', 'In', 'Cu', 'Se']
  • Chemical System: Ce-Cu-In-Se
  • Density: 5.428515214732922
  • Atomic Density: 0.03816750927337843
  • Unit Cell Volume: 419.2047190032357
  • Molar Volume: 15.778186406835829
  • Full Formula: Ce1 In3 Cu4 Se8
  • Reduced Formula: CeIn3(CuSe2)4
  • Formula Anonymous: AB3C4D8
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -71.04290007
  • Final energy per atom: -4.440181254375
  • 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.