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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195804

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-1195804
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 38
  • Number of elements: 5
  • Element list: ['H', 'Ir', 'C', 'Cl', 'O']
  • Chemical System: C-Cl-H-Ir-O
  • Density: 2.7631856193002275
  • Atomic Density: 0.08305393374203748
  • Unit Cell Volume: 457.534017810964
  • Molar Volume: 7.250879625647295
  • Full Formula: H20 Ir2 C4 Cl6 O6
  • Reduced Formula: H10IrC2(ClO)3
  • Formula Anonymous: AB2C3D3E10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -192.36119531
  • Final energy per atom: -5.062136718684211
  • 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.