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  1. Third-Parties
  2. MatprojStructure
  3. mp-570141

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-570141
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 3
  • Element list: ['Sm', 'P', 'Pt']
  • Chemical System: P-Pt-Sm
  • Density: 13.2288495094398
  • Atomic Density: 0.05602586539576588
  • Unit Cell Volume: 392.67577295937025
  • Molar Volume: 10.748858080923316
  • Full Formula: Sm4 P6 Pt12
  • Reduced Formula: Sm2(PPt2)3
  • Formula Anonymous: A2B3C6
  • Spacegroup Number: 141
  • Spacegroup Symbol: I4_1/amd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -145.99112944
  • Final energy per atom: -6.635960429090909
  • 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.