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  1. Third-Parties
  2. MatprojStructure
  3. mp-818592

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-818592
  • 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: 36
  • Number of elements: 5
  • Element list: ['Sm', 'Fe', 'C', 'N', 'O']
  • Chemical System: C-Fe-N-O-Sm
  • Density: 2.1233970277467686
  • Atomic Density: 0.053992339864877406
  • Unit Cell Volume: 666.7612496530899
  • Molar Volume: 11.153694718678912
  • Full Formula: Sm2 Fe2 C12 N12 O8
  • Reduced Formula: SmFeC6(N3O2)2
  • Formula Anonymous: ABC4D6E6
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -268.67424432
  • Final energy per atom: -7.463173453333334
  • 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.