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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200098

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-1200098
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 48
  • Number of elements: 5
  • Element list: ['Ir', 'W', 'N', 'Cl', 'O']
  • Chemical System: Cl-Ir-N-O-W
  • Density: 3.562141102938165
  • Atomic Density: 0.04718628562274453
  • Unit Cell Volume: 1017.2447219889511
  • Molar Volume: 12.762481048301106
  • Full Formula: Ir4 W4 N20 Cl4 O16
  • Reduced Formula: IrWN5ClO4
  • Formula Anonymous: ABCD4E5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -327.34257461000004
  • Final energy per atom: -6.8196369710416676
  • 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.