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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211636

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-1211636
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 128
  • Number of elements: 3
  • Element list: ['Sm', 'Ni', 'P']
  • Chemical System: Ni-P-Sm
  • Density: 7.5364414329499185
  • Atomic Density: 0.06384928605827991
  • Unit Cell Volume: 2004.7209280173474
  • Molar Volume: 9.431805947686167
  • Full Formula: Sm30 Ni56 P42
  • Reduced Formula: Sm15(Ni4P3)7
  • Formula Anonymous: A15B21C28
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -823.91150368
  • Final energy per atom: -6.4368086225
  • 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.