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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205021

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-1205021
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 32
  • Number of elements: 2
  • Element list: ['Pr', 'Ir']
  • Chemical System: Ir-Pr
  • Density: 10.017301469501014
  • Atomic Density: 0.037668501827056194
  • Unit Cell Volume: 849.5161327869781
  • Molar Volume: 15.987205404793855
  • Full Formula: Pr20 Ir12
  • Reduced Formula: Pr5Ir3
  • Formula Anonymous: A3B5
  • Spacegroup Number: 130
  • Spacegroup Symbol: P4/ncc1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -220.36644377
  • Final energy per atom: -6.8864513678125
  • 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.