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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191519

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-1191519
  • 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: 23
  • Number of elements: 4
  • Element list: ['Ir', 'Os', 'N', 'Cl']
  • Chemical System: Cl-Ir-N-Os
  • Density: 2.5521546225352667
  • Atomic Density: 0.0330599349289442
  • Unit Cell Volume: 695.7061485279374
  • Molar Volume: 18.215827626229157
  • Full Formula: Ir2 Os1 N10 Cl10
  • Reduced Formula: Ir2Os(NCl)10
  • Formula Anonymous: AB2C10D10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -128.29387097
  • Final energy per atom: -5.57799439
  • 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.