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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228756

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-1228756
  • 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: 8
  • Number of elements: 3
  • Element list: ['As', 'Pd', 'Pb']
  • Chemical System: As-Pb-Pd
  • Density: 11.554926763365819
  • Atomic Density: 0.06046687046470844
  • Unit Cell Volume: 132.30385397023664
  • Molar Volume: 9.959405396240625
  • Full Formula: As1 Pd6 Pb1
  • Reduced Formula: AsPd6Pb
  • Formula Anonymous: ABC6
  • Spacegroup Number: 166
  • Spacegroup Symbol: R-3mH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -41.23406659
  • Final energy per atom: -5.15425832375
  • 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.