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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227224

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-1227224
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['Ca', 'La', 'Nb', 'Co', 'O']
  • Chemical System: Ca-Co-La-Nb-O
  • Density: 5.55155870607807
  • Atomic Density: 0.07832883053619799
  • Unit Cell Volume: 510.66765233415373
  • Molar Volume: 7.688281209837541
  • Full Formula: Ca4 La4 Nb4 Co4 O24
  • Reduced Formula: CaLaNbCoO6
  • Formula Anonymous: ABCDE6
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -337.59410778000006
  • Final energy per atom: -8.4398526945
  • 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.