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  1. Third-Parties
  2. MatprojStructure
  3. mp-1105769

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-1105769
  • 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: 18
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Nb', 'O', 'F']
  • Chemical System: F-K-Na-Nb-O
  • Density: 2.767030883087085
  • Atomic Density: 0.05638308828212052
  • Unit Cell Volume: 319.24466268918314
  • Molar Volume: 10.680757197738783
  • Full Formula: K2 Na2 Nb2 O2 F10
  • Reduced Formula: KNaNbOF5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -112.81405954
  • Final energy per atom: -6.267447752222222
  • 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.