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  1. Third-Parties
  2. MatprojStructure
  3. mp-694932

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-694932
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Na', 'Co', 'O']
  • Chemical System: Co-Na-O
  • Density: 10.201948179036288
  • Atomic Density: 0.20770969221004137
  • Unit Cell Volume: 96.28823665953675
  • Molar Volume: 2.8993065734796124
  • Full Formula: Na2 Co6 O12
  • Reduced Formula: Na(CoO2)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 155
  • Spacegroup Symbol: R32H
  • Crystal System: trigonal
  • Pointgroup: 32

Thermodynamics:

  • Final energy: -28.18594455
  • Final energy per atom: -1.4092972275
  • 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.