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  1. Third-Parties
  2. MatprojStructure
  3. mp-556475

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-556475
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['K', 'La', 'Pd', 'O']
  • Chemical System: K-La-O-Pd
  • Density: 5.538086674329287
  • Atomic Density: 0.06019663051527556
  • Unit Cell Volume: 199.3467059083127
  • Molar Volume: 10.004116025184857
  • Full Formula: K2 La2 Pd2 O6
  • Reduced Formula: KLaPdO3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -80.0640631
  • Final energy per atom: -6.672005258333333
  • 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.