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  1. Third-Parties
  2. MatprojStructure
  3. mp-1206335

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-1206335
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Pr', 'Si', 'Ni']
  • Chemical System: Ni-Pr-Si
  • Density: 6.2186709190283995
  • Atomic Density: 0.049343773219080456
  • Unit Cell Volume: 121.59588958389374
  • Molar Volume: 12.204459381860431
  • Full Formula: Pr2 Si2 Ni2
  • Reduced Formula: PrSiNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 109
  • Spacegroup Symbol: I4_1md
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -36.08034659
  • Final energy per atom: -6.013391098333333
  • 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.