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  1. Third-Parties
  2. MatprojStructure
  3. mp-686088

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-686088
  • 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: 79
  • Number of elements: 3
  • Element list: ['Nb', 'P', 'O']
  • Chemical System: Nb-O-P
  • Density: 2.922684021104517
  • Atomic Density: 0.06609224144205368
  • Unit Cell Volume: 1195.299149738524
  • Molar Volume: 9.111721177257857
  • Full Formula: Nb8 P15 O56
  • Reduced Formula: Nb8P15O56
  • Formula Anonymous: A8B15C56
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -656.7757559199999
  • Final energy per atom: -8.313617163544302
  • 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.