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  1. Third-Parties
  2. MatprojStructure
  3. mp-21542

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-21542
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 46
  • Number of elements: 4
  • Element list: ['K', 'Ce', 'Ta', 'O']
  • Chemical System: Ce-K-O-Ta
  • Density: 7.096452020677534
  • Atomic Density: 0.07211248350471174
  • Unit Cell Volume: 637.8923282678847
  • Molar Volume: 8.351037805550716
  • Full Formula: K4 Ce2 Ta10 O30
  • Reduced Formula: K2CeTa5O15
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 127
  • Spacegroup Symbol: P4/mbm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -437.29516688000007
  • Final energy per atom: -9.506416671304349
  • 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.