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  1. Third-Parties
  2. MatprojStructure
  3. mp-1029492

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-1029492
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 3
  • Element list: ['Li', 'Co', 'N']
  • Chemical System: Co-Li-N
  • Density: 3.408474739224505
  • Atomic Density: 0.11427888170280896
  • Unit Cell Volume: 420.0251112434553
  • Molar Volume: 5.2696882138390535
  • Full Formula: Li24 Co8 N16
  • Reduced Formula: Li3CoN2
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 206
  • Spacegroup Symbol: Ia-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -255.74404396
  • Final energy per atom: -5.328000915833333
  • 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.