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  1. Third-Parties
  2. MatprojStructure
  3. mp-34196

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-34196
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 3
  • Element list: ['Ca', 'Sm', 'Se']
  • Chemical System: Ca-Se-Sm
  • Density: 6.974491136274627
  • Atomic Density: 0.040266495016028074
  • Unit Cell Volume: 1043.050803981869
  • Molar Volume: 14.955711336690436
  • Full Formula: Ca2 Sm16 Se24
  • Reduced Formula: Ca(Sm2Se3)4
  • Formula Anonymous: AB8C12
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -252.59034844
  • Final energy per atom: -6.014055915238096
  • 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.