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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219022

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-1219022
  • 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: 13
  • Number of elements: 3
  • Element list: ['Sm', 'Ti', 'Fe']
  • Chemical System: Fe-Sm-Ti
  • Density: 7.84183611500002
  • Atomic Density: 0.0755573796069669
  • Unit Cell Volume: 172.05466981019168
  • Molar Volume: 7.97028800009459
  • Full Formula: Sm1 Ti1 Fe11
  • Reduced Formula: SmTiFe11
  • Formula Anonymous: ABC11
  • Spacegroup Number: 44
  • Spacegroup Symbol: Imm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -106.43744936
  • Final energy per atom: -8.187496104615384
  • 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.