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  1. Third-Parties
  2. MatprojStructure
  3. mp-726905

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-726905
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Sm', 'I', 'O']
  • Chemical System: I-O-Sm
  • Density: 4.8297749459892465
  • Atomic Density: 0.05892307727763923
  • Unit Cell Volume: 475.1958195948762
  • Molar Volume: 10.22034326487111
  • Full Formula: Sm2 I6 O20
  • Reduced Formula: SmI3O10
  • Formula Anonymous: AB3C10
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -152.36991276
  • Final energy per atom: -5.441782598571429
  • 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.