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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181644

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-1181644
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 88
  • Number of elements: 4
  • Element list: ['Na', 'Co', 'N', 'O']
  • Chemical System: Co-N-Na-O
  • Density: 2.2383249374809173
  • Atomic Density: 0.07683230847569883
  • Unit Cell Volume: 1145.3515031093123
  • Molar Volume: 7.8380317856839286
  • Full Formula: Na4 Co4 N32 O48
  • Reduced Formula: NaCo(N2O3)4
  • Formula Anonymous: ABC8D12
  • Spacegroup Number: 195
  • Spacegroup Symbol: P23
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -484.10692494
  • Final energy per atom: -5.501215056136363
  • 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.