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  1. Third-Parties
  2. MatprojStructure
  3. mp-648833

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-648833
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['K', 'Ir', 'C', 'Br', 'O']
  • Chemical System: Br-C-Ir-K-O
  • Density: 3.81626379146549
  • Atomic Density: 0.03292826876643286
  • Unit Cell Volume: 1214.7617077511247
  • Molar Volume: 18.288664984838142
  • Full Formula: K8 Ir4 C4 Br20 O4
  • Reduced Formula: K2IrCBr5O
  • Formula Anonymous: ABCD2E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -179.85236731999998
  • Final energy per atom: -4.496309182999999
  • 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.