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  1. Third-Parties
  2. MatprojStructure
  3. mp-654301

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-654301
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:40 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'O']
  • Chemical System: Nb-O-P
  • Density: 3.187574990446983
  • Atomic Density: 0.06942323882104037
  • Unit Cell Volume: 1209.9694774618004
  • Molar Volume: 8.674531557831678
  • Full Formula: Nb10 P14 O60
  • Reduced Formula: Nb5P7O30
  • Formula Anonymous: A5B7C30
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -713.95589258
  • Final energy per atom: -8.499474911666667
  • 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.