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  1. Third-Parties
  2. MatprojStructure
  3. mp-554492

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-554492
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 96
  • Number of elements: 4
  • Element list: ['Nd', 'Cu', 'Mo', 'O']
  • Chemical System: Cu-Mo-Nd-O
  • Density: 4.439217020428015
  • Atomic Density: 0.06079693964735959
  • Unit Cell Volume: 1579.0268483385623
  • Molar Volume: 9.905335358868745
  • Full Formula: Nd8 Cu8 Mo16 O64
  • Reduced Formula: NdCu(MoO4)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -779.0930560000002
  • Final energy per atom: -8.115552666666668
  • 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.