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  1. Third-Parties
  2. MatprojStructure
  3. mp-861868

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-861868
  • 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: 18
  • Number of elements: 5
  • Element list: ['K', 'Na', 'La', 'Ta', 'O']
  • Chemical System: K-La-Na-O-Ta
  • Density: 5.363646222697965
  • Atomic Density: 0.06293169843134827
  • Unit Cell Volume: 286.02437958409894
  • Molar Volume: 9.569328192483967
  • Full Formula: K2 Na2 La2 Ta2 O10
  • Reduced Formula: KNaLaTaO5
  • Formula Anonymous: ABCDE5
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -144.66411198999998
  • Final energy per atom: -8.036895110555555
  • 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.