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  1. Third-Parties
  2. MatprojStructure
  3. mp-1211237

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-1211237
  • 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: 18
  • Number of elements: 3
  • Element list: ['La', 'As', 'Pd']
  • Chemical System: As-La-Pd
  • Density: 8.855641140631924
  • Atomic Density: 0.05262745758611838
  • Unit Cell Volume: 342.02678270264545
  • Molar Volume: 11.442963495140354
  • Full Formula: La3 As6 Pd9
  • Reduced Formula: LaAs2Pd3
  • Formula Anonymous: AB2C3
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -105.09152514
  • Final energy per atom: -5.838418063333333
  • 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.