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  1. Third-Parties
  2. MatprojStructure
  3. mp-1246407

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-1246407
  • 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: 48
  • Number of elements: 3
  • Element list: ['Na', 'Co', 'N']
  • Chemical System: Co-N-Na
  • Density: 3.3458720961615924
  • Atomic Density: 0.07753915681974397
  • Unit Cell Volume: 619.0420681461119
  • Molar Volume: 7.76658014736958
  • Full Formula: Na24 Co8 N16
  • Reduced Formula: Na3CoN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -209.87499457
  • Final energy per atom: -4.372395720208334
  • 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.