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  1. Third-Parties
  2. MatprojStructure
  3. mp-1104451

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-1104451
  • 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: 14
  • Number of elements: 2
  • Element list: ['Sm', 'Ga']
  • Chemical System: Ga-Sm
  • Density: 6.757127071551144
  • Atomic Density: 0.050087496809387407
  • Unit Cell Volume: 279.51087380705593
  • Molar Volume: 12.023241614404913
  • Full Formula: Sm2 Ga12
  • Reduced Formula: SmGa6
  • Formula Anonymous: AB6
  • Spacegroup Number: 125
  • Spacegroup Symbol: P4/nbm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -50.41244923
  • Final energy per atom: -3.600889230714286
  • 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.