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  1. Third-Parties
  2. MatprojStructure
  3. mp-17677

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-17677
  • 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: 35
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'O']
  • Chemical System: Nb-O-P
  • Density: 4.278573293726654
  • Atomic Density: 0.07117074069926164
  • Unit Cell Volume: 491.77512635277526
  • Molar Volume: 8.461540094751994
  • Full Formula: Nb9 P1 O25
  • Reduced Formula: Nb9PO25
  • Formula Anonymous: AB9C25
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -325.54850272
  • Final energy per atom: -9.301385792
  • 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.