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  1. Third-Parties
  2. MatprojStructure
  3. mp-1210858

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-1210858
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 3
  • Element list: ['Pr', 'Ni', 'Pb']
  • Chemical System: Ni-Pb-Pr
  • Density: 7.087611545645731
  • Atomic Density: 0.036039040135224354
  • Unit Cell Volume: 527.2060501253336
  • Molar Volume: 16.710047596728288
  • Full Formula: Pr12 Ni6 Pb1
  • Reduced Formula: Pr12Ni6Pb
  • Formula Anonymous: AB6C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -100.82717148
  • Final energy per atom: -5.306693235789474
  • 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.