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  1. Third-Parties
  2. MatprojStructure
  3. mp-1100028

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-1100028
  • 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: 144
  • Number of elements: 4
  • Element list: ['La', 'Sm', 'Cr', 'O']
  • Chemical System: Cr-La-O-Sm
  • Density: 6.197284157854546
  • Atomic Density: 0.07140617722142271
  • Unit Cell Volume: 2016.632252325619
  • Molar Volume: 8.433641169903273
  • Full Formula: La20 Sm12 Cr32 O80
  • Reduced Formula: La5Sm3Cr8O20
  • Formula Anonymous: A3B5C8D20
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -1269.4834113000002
  • Final energy per atom: -8.815857022916667
  • 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.