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  1. Third-Parties
  2. MatprojStructure
  3. mp-571302

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-571302
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 13
  • Number of elements: 3
  • Element list: ['Pr', 'Al', 'Si']
  • Chemical System: Al-Pr-Si
  • Density: 4.214825745742981
  • Atomic Density: 0.04719500084372724
  • Unit Cell Volume: 275.4529032226482
  • Molar Volume: 12.76012427659573
  • Full Formula: Pr3 Al4 Si6
  • Reduced Formula: Pr3(Al2Si3)2
  • Formula Anonymous: A3B4C6
  • Spacegroup Number: 164
  • Spacegroup Symbol: P-3m1
  • Crystal System: trigonal
  • Pointgroup: -3m1

Thermodynamics:

  • Final energy: -67.21870464
  • Final energy per atom: -5.1706695876923074
  • 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.