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  1. Third-Parties
  2. MatprojStructure
  3. mp-772046

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-772046
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Nb', 'Cu', 'P', 'O']
  • Chemical System: Cu-Nb-O-P
  • Density: 3.681585094231025
  • Atomic Density: 0.08020510165559426
  • Unit Cell Volume: 299.2328356250642
  • Molar Volume: 7.508426067283663
  • Full Formula: Nb1 Cu3 P4 O16
  • Reduced Formula: NbCu3(PO4)4
  • Formula Anonymous: AB3C4D16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -175.95443942
  • Final energy per atom: -7.331434975833333
  • 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.