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  1. Third-Parties
  2. MatprojStructure
  3. mp-569462

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-569462
  • 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: 64
  • Number of elements: 3
  • Element list: ['Pr', 'Si', 'Ni']
  • Chemical System: Ni-Pr-Si
  • Density: 6.219945569700649
  • Atomic Density: 0.04272720728070905
  • Unit Cell Volume: 1497.8746347621793
  • Molar Volume: 14.094393580267864
  • Full Formula: Pr30 Si20 Ni14
  • Reduced Formula: Pr15Si10Ni7
  • Formula Anonymous: A7B10C15
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -372.09200529
  • Final energy per atom: -5.81393758265625
  • 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.