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  1. Third-Parties
  2. MatprojStructure
  3. mp-30898

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-30898
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 3
  • Element list: ['Ce', 'B', 'Ir']
  • Chemical System: B-Ce-Ir
  • Density: 15.079815094647575
  • Atomic Density: 0.06471531265525178
  • Unit Cell Volume: 278.1412815833667
  • Molar Volume: 9.305588604787946
  • Full Formula: Ce4 B4 Ir10
  • Reduced Formula: Ce2B2Ir5
  • Formula Anonymous: A2B2C5
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -152.49578234
  • Final energy per atom: -8.471987907777779
  • 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.