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  1. Third-Parties
  2. MatprojStructure
  3. mp-1225844

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-1225844
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Cu', 'Bi', 'Ir']
  • Chemical System: Bi-Cu-Ir
  • Density: 11.553089457816597
  • Atomic Density: 0.035362223748401034
  • Unit Cell Volume: 452.4602330961573
  • Molar Volume: 17.029870075046688
  • Full Formula: Cu1 Bi12 Ir3
  • Reduced Formula: Cu(Bi4Ir)3
  • Formula Anonymous: AB3C12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -77.09362798
  • Final energy per atom: -4.81835174875
  • 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.