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  1. Third-Parties
  2. MatprojStructure
  3. mp-1209346

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-1209346
  • 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: 9.18095961007658
  • Atomic Density: 0.04591983179558707
  • Unit Cell Volume: 261.32499904220487
  • Molar Volume: 13.114466069491858
  • Full Formula: Pr4 Si4 Ir4
  • Reduced Formula: PrSiIr
  • Formula Anonymous: ABC
  • Spacegroup Number: 198
  • Spacegroup Symbol: P2_13
  • Crystal System: cubic
  • Pointgroup: 23

Thermodynamics:

  • Final energy: -87.52613222
  • Final energy per atom: -7.2938443516666664
  • 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.