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  1. Third-Parties
  2. MatprojStructure
  3. mp-1173197

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-1173197
  • 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: 42
  • Number of elements: 5
  • Element list: ['Sr', 'Ce', 'Nd', 'Cu', 'O']
  • Chemical System: Ce-Cu-Nd-O-Sr
  • Density: 5.319135733053019
  • Atomic Density: 0.05736338730566197
  • Unit Cell Volume: 732.1743358041629
  • Molar Volume: 10.49823074064804
  • Full Formula: Sr8 Ce5 Nd3 Cu2 O24
  • Reduced Formula: Sr8Ce5Nd3(CuO12)2
  • Formula Anonymous: A2B3C5D8E24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -309.86233546
  • Final energy per atom: -7.377674653809524
  • 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.