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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219397

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-1219397
  • 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: 59
  • Number of elements: 3
  • Element list: ['Sm', 'Ga', 'Cu']
  • Chemical System: Cu-Ga-Sm
  • Density: 6.87320810275313
  • Atomic Density: 0.05151856124522222
  • Unit Cell Volume: 1145.2183169317757
  • Molar Volume: 11.689264246599059
  • Full Formula: Sm8 Ga48 Cu3
  • Reduced Formula: Sm8(Ga16Cu)3
  • Formula Anonymous: A3B8C48
  • Spacegroup Number: 111
  • Spacegroup Symbol: P-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -214.8888016
  • Final energy per atom: -3.6421830779661017
  • 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.