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  1. Third-Parties
  2. MatprojStructure
  3. mp-1099860

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-1099860
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Ta', 'Nb', 'O']
  • Chemical System: K-Na-Nb-O-Ta
  • Density: 6.114330467934943
  • Atomic Density: 0.07671330371784223
  • Unit Cell Volume: 521.4219445837355
  • Molar Volume: 7.850190864090436
  • Full Formula: K5 Na3 Ta6 Nb2 O24
  • Reduced Formula: K5Na3Ta6Nb2O24
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -339.91418168
  • Final energy per atom: -8.497854542
  • 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.