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  1. Third-Parties
  2. MatprojStructure
  3. mp-1223404

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-1223404
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 5
  • Element list: ['K', 'Na', 'Ti', 'Bi', 'O']
  • Chemical System: Bi-K-Na-O-Ti
  • Density: 5.700663309169881
  • Atomic Density: 0.0795131730572906
  • Unit Cell Volume: 251.53064870885808
  • Molar Volume: 7.573764859894277
  • Full Formula: K1 Na1 Ti4 Bi2 O12
  • Reduced Formula: KNaTi4(BiO6)2
  • Formula Anonymous: ABC2D4E12
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -157.41255182
  • Final energy per atom: -7.870627591
  • 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.