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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209310

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-1209310
  • 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: 12
  • Number of elements: 3
  • Element list: ['Pr', 'Si', 'Ir']
  • Chemical System: Ir-Pr-Si
  • Density: 12.77072661183914
  • Atomic Density: 0.05963874846250286
  • Unit Cell Volume: 201.21146585671318
  • Molar Volume: 10.097698082625508
  • Full Formula: Pr2 Si4 Ir6
  • Reduced Formula: PrSi2Ir3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -95.59773116
  • Final energy per atom: -7.9664775966666665
  • 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.