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  1. Third-Parties
  2. MatprojStructure
  3. mp-560692

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-560692
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 108
  • Number of elements: 3
  • Element list: ['K', 'Nb', 'O']
  • Chemical System: K-Nb-O
  • Density: 3.7056097024720356
  • Atomic Density: 0.06111898775564512
  • Unit Cell Volume: 1767.044971879869
  • Molar Volume: 9.853142175843345
  • Full Formula: K16 Nb24 O68
  • Reduced Formula: K4Nb6O17
  • Formula Anonymous: A4B6C17
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -912.67225299
  • Final energy per atom: -8.450669009166667
  • 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.