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  1. Third-Parties
  2. MatprojStructure
  3. mp-773047

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-773047
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'P', 'O']
  • Chemical System: K-Nb-O-P
  • Density: 3.471365413363278
  • Atomic Density: 0.06534870258779005
  • Unit Cell Volume: 550.8908145748918
  • Molar Volume: 9.215394524336272
  • Full Formula: K3 Nb6 P3 O24
  • Reduced Formula: KNb2PO8
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -303.58073418
  • Final energy per atom: -8.432798171666667
  • 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.