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  1. Third-Parties
  2. MatprojStructure
  3. mp-1099896

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-1099896
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 5
  • Element list: ['La', 'Sm', 'Cr', 'Fe', 'O']
  • Chemical System: Cr-Fe-La-O-Sm
  • Density: 6.69856100724416
  • Atomic Density: 0.08293289340791343
  • Unit Cell Volume: 482.31767102657494
  • Molar Volume: 7.26146226489352
  • Full Formula: La6 Sm2 Cr5 Fe3 O24
  • Reduced Formula: La6Sm2Cr5(FeO8)3
  • Formula Anonymous: A2B3C5D6E24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -349.05832378
  • Final energy per atom: -8.7264580945
  • 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.