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  1. Third-Parties
  2. MatprojStructure
  3. mp-32594

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-32594
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 2
  • Element list: ['Sm', 'Se']
  • Chemical System: Se-Sm
  • Density: 6.876288069572306
  • Atomic Density: 0.038513741327737626
  • Unit Cell Volume: 1038.5903477830125
  • Molar Volume: 15.636343165816639
  • Full Formula: Sm16 Se24
  • Reduced Formula: Sm2Se3
  • Formula Anonymous: A2B3
  • Spacegroup Number: 122
  • Spacegroup Symbol: I-42d
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -245.50136959
  • Final energy per atom: -6.13753423975
  • 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.