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  1. Third-Parties
  2. MatprojStructure
  3. mp-560681

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-560681
  • 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: 80
  • Number of elements: 3
  • Element list: ['Nd', 'P', 'O']
  • Chemical System: Nd-O-P
  • Density: 3.222069174097774
  • Atomic Density: 0.07418720977247749
  • Unit Cell Volume: 1078.352997037489
  • Molar Volume: 8.117491921409528
  • Full Formula: Nd4 P20 O56
  • Reduced Formula: NdP5O14
  • Formula Anonymous: AB5C14
  • Spacegroup Number: 53
  • Spacegroup Symbol: Pmna
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -630.3309792
  • Final energy per atom: -7.87913724
  • 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.