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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211698

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-1211698
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 3
  • Element list: ['Pr', 'Ni', 'P']
  • Chemical System: Ni-P-Pr
  • Density: 7.317952731784463
  • Atomic Density: 0.06459141557455927
  • Unit Cell Volume: 1145.663078316966
  • Molar Volume: 9.323438271837396
  • Full Formula: Pr16 Ni36 P22
  • Reduced Formula: Pr8Ni18P11
  • Formula Anonymous: A8B11C18
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -470.7001945
  • Final energy per atom: -6.360813439189189
  • 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.