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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247047

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-1247047
  • 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: 4
  • Element list: ['Sm', 'Mg', 'Ti', 'S']
  • Chemical System: Mg-S-Sm-Ti
  • Density: 3.8753629987707043
  • Atomic Density: 0.04063438461224633
  • Unit Cell Volume: 344.53579483471987
  • Molar Volume: 14.820307523951172
  • Full Formula: Sm3 Mg2 Ti1 S8
  • Reduced Formula: Sm3Mg2TiS8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -85.70574672000001
  • Final energy per atom: -6.121839051428572
  • 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.