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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195936

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-1195936
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Ir', 'N', 'Cl', 'O']
  • Chemical System: Cl-Ir-K-N-O
  • Density: 2.919289181757682
  • Atomic Density: 0.0386733821816814
  • Unit Cell Volume: 1034.303123840743
  • Molar Volume: 15.571797500691666
  • Full Formula: K4 Ir4 N4 Cl20 O8
  • Reduced Formula: KIrNCl5O2
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -183.63007266000005
  • Final energy per atom: -4.590751816500001
  • 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.