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  1. Third-Parties
  2. MatprojStructure
  3. mp-849362

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-849362
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 3
  • Element list: ['Na', 'Co', 'O']
  • Chemical System: Co-Na-O
  • Density: 2.6897474762015046
  • Atomic Density: 0.0693744435596661
  • Unit Cell Volume: 720.7265014961463
  • Molar Volume: 8.680632882944288
  • Full Formula: Na28 Co4 O18
  • Reduced Formula: Na14Co2O9
  • Formula Anonymous: A2B9C14
  • Spacegroup Number: 147
  • Spacegroup Symbol: P-3
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -227.23522314
  • Final energy per atom: -4.5447044627999995
  • 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.