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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220212

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-1220212
  • 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: 55
  • Number of elements: 3
  • Element list: ['Pr', 'Ni', 'Ge']
  • Chemical System: Ge-Ni-Pr
  • Density: 7.969592385355383
  • Atomic Density: 0.07138246838476876
  • Unit Cell Volume: 770.4973117984196
  • Molar Volume: 8.436442303366713
  • Full Formula: Pr3 Ni36 Ge16
  • Reduced Formula: Pr3(Ni9Ge4)4
  • Formula Anonymous: A3B16C36
  • Spacegroup Number: 89
  • Spacegroup Symbol: P422
  • Crystal System: tetragonal
  • Pointgroup: 422

Thermodynamics:

  • Final energy: -302.9006575
  • Final energy per atom: -5.507284681818183
  • 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.