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  1. Third-Parties
  2. MatprojStructure
  3. mp-1218607

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-1218607
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 6
  • Element list: ['Sr', 'Ce', 'Nd', 'Nb', 'Cu', 'O']
  • Chemical System: Ce-Cu-Nb-Nd-O-Sr
  • Density: 6.155206562874519
  • Atomic Density: 0.0748702328982948
  • Unit Cell Volume: 454.11906286155505
  • Molar Volume: 8.043437995151686
  • Full Formula: Sr4 Ce1 Nd3 Nb2 Cu4 O20
  • Reduced Formula: Sr4CeNd3Nb2(CuO5)4
  • Formula Anonymous: AB2C3D4E4F20
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -259.09817739
  • Final energy per atom: -7.620534629117647
  • 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.