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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196326

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-1196326
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['Sm', 'Fe', 'Sn']
  • Chemical System: Fe-Sm-Sn
  • Density: 7.7403584800928025
  • Atomic Density: 0.053368514634685935
  • Unit Cell Volume: 749.5055890875909
  • Molar Volume: 11.284070394730481
  • Full Formula: Sm12 Fe26 Sn2
  • Reduced Formula: Sm6Fe13Sn
  • Formula Anonymous: AB6C13
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -289.27773548
  • Final energy per atom: -7.231943386999999
  • 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.