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  1. Third-Parties
  2. MatprojStructure
  3. mp-667803

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-667803
  • 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: 54
  • Number of elements: 3
  • Element list: ['Nd', 'Cu', 'O']
  • Chemical System: Cu-Nd-O
  • Density: 7.255920609233487
  • Atomic Density: 0.07935573112449737
  • Unit Cell Volume: 680.4801522814025
  • Molar Volume: 7.588791224860818
  • Full Formula: Nd12 Cu12 O30
  • Reduced Formula: Nd2Cu2O5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -386.89761649
  • Final energy per atom: -7.1647706757407414
  • 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.