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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245732

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-1245732
  • 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: 15
  • Number of elements: 3
  • Element list: ['Li', 'Ir', 'N']
  • Chemical System: Ir-Li-N
  • Density: 7.854381212297635
  • Atomic Density: 0.10102025620920065
  • Unit Cell Volume: 148.4850718348687
  • Molar Volume: 5.96132002232194
  • Full Formula: Li6 Ir3 N6
  • Reduced Formula: Li2IrN2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -88.5886937
  • Final energy per atom: -5.905912913333333
  • 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.