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  1. Third-Parties
  2. MatprojStructure
  3. mp-1185490

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-1185490
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Lu', 'Pd', 'O']
  • Chemical System: Lu-O-Pd
  • Density: 8.782822082118303
  • Atomic Density: 0.08028805008062118
  • Unit Cell Volume: 62.275768249188445
  • Molar Volume: 7.5006688466750315
  • Full Formula: Lu1 Pd1 O3
  • Reduced Formula: LuPdO3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -33.31490113
  • Final energy per atom: -6.662980226
  • 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.