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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223692

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-1223692
  • 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: 25
  • Number of elements: 4
  • Element list: ['K', 'Nb', 'O', 'F']
  • Chemical System: F-K-Nb-O
  • Density: 4.709650627681128
  • Atomic Density: 0.06466327215363497
  • Unit Cell Volume: 386.6182326901416
  • Molar Volume: 9.313077670569864
  • Full Formula: K3 Nb8 O10 F4
  • Reduced Formula: K3Nb8(O5F2)2
  • Formula Anonymous: A3B4C8D10
  • Spacegroup Number: 99
  • Spacegroup Symbol: P4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -208.59182667
  • Final energy per atom: -8.3436730668
  • 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.