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  1. Third-Parties
  2. MatprojStructure
  3. mp-1222847

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-1222847
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 4
  • Element list: ['La', 'Y', 'Sc', 'O']
  • Chemical System: La-O-Sc-Y
  • Density: 5.021137884097699
  • Atomic Density: 0.07778869061444284
  • Unit Cell Volume: 257.1067830300598
  • Molar Volume: 7.741666188788996
  • Full Formula: La1 Y3 Sc4 O12
  • Reduced Formula: LaY3Sc4O12
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -187.78206067
  • Final energy per atom: -9.3891030335
  • 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.