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  1. Third-Parties
  2. MatprojStructure
  3. mp-18360

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-18360
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 36
  • Number of elements: 3
  • Element list: ['Ca', 'P', 'Ir']
  • Chemical System: Ca-Ir-P
  • Density: 12.586123799198159
  • Atomic Density: 0.06459532997794482
  • Unit Cell Volume: 557.3158309167505
  • Molar Volume: 9.322873282102865
  • Full Formula: Ca5 P12 Ir19
  • Reduced Formula: Ca5P12Ir19
  • Formula Anonymous: A5B12C19
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -268.8564676
  • Final energy per atom: -7.468235211111111
  • 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.