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  1. Third-Parties
  2. MatprojStructure
  3. mp-559195

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-559195
  • 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: 22
  • Number of elements: 5
  • Element list: ['Sm', 'Mn', 'Se', 'Cl', 'O']
  • Chemical System: Cl-Mn-O-Se-Sm
  • Density: 4.5147464317282795
  • Atomic Density: 0.06045937057505026
  • Unit Cell Volume: 363.8807316508639
  • Molar Volume: 9.96064084478768
  • Full Formula: Sm2 Mn2 Se4 Cl2 O12
  • Reduced Formula: SmMnSe2ClO6
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -151.01294686999998
  • Final energy per atom: -6.8642248577272715
  • 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.