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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197234

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-1197234
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 2
  • Element list: ['Ir', 'C']
  • Chemical System: C-Ir
  • Density: 14.367747493817387
  • Atomic Density: 0.09394392358941821
  • Unit Cell Volume: 383.20732863296143
  • Molar Volume: 6.410356870253534
  • Full Formula: Ir16 C20
  • Reduced Formula: Ir4C5
  • Formula Anonymous: A4B5
  • Spacegroup Number: 116
  • Spacegroup Symbol: P-4c2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -288.81137656
  • Final energy per atom: -8.022538237777777
  • 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.