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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219198

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-1219198
  • 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: 7
  • Number of elements: 4
  • Element list: ['Sm', 'Fe', 'As', 'O']
  • Chemical System: As-Fe-O-Sm
  • Density: 7.44920279910429
  • Atomic Density: 0.05430516607283101
  • Unit Cell Volume: 128.90118024152613
  • Molar Volume: 11.089443593494304
  • Full Formula: Sm2 Fe2 As2 O1
  • Reduced Formula: Sm2Fe2As2O
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -47.18436912
  • Final energy per atom: -6.74062416
  • 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.