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  1. Third-Parties
  2. MatprojStructure
  3. mp-21441

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-21441
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Ce', 'Si', 'Ir']
  • Chemical System: Ce-Ir-Si
  • Density: 9.42023698392472
  • Atomic Density: 0.04722010090715975
  • Unit Cell Volume: 254.12906303596014
  • Molar Volume: 12.753341573412207
  • Full Formula: Ce4 Si4 Ir4
  • Reduced Formula: CeSiIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -91.77573354
  • Final energy per atom: -7.647977795
  • 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.