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  1. Third-Parties
  2. MatprojStructure
  3. mp-574653

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-574653
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 5
  • Element list: ['Cs', 'Li', 'Ir', 'C', 'N']
  • Chemical System: C-Cs-Ir-Li-N
  • Density: 3.2210805547857246
  • Atomic Density: 0.049972331158303414
  • Unit Cell Volume: 320.17717863340937
  • Molar Volume: 12.050950236687848
  • Full Formula: Cs2 Li1 Ir1 C6 N6
  • Reduced Formula: Cs2LiIr(CN)6
  • Formula Anonymous: ABC2D6E6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -123.88455246
  • Final energy per atom: -7.74278452875
  • 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.