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  1. Third-Parties
  2. MatprojStructure
  3. mp-1021498

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-1021498
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['P', 'Pd']
  • Chemical System: P-Pd
  • Density: 4.763462956406369
  • Atomic Density: 0.05756207359560878
  • Unit Cell Volume: 277.96079954320106
  • Molar Volume: 10.461994128820628
  • Full Formula: P12 Pd4
  • Reduced Formula: P3Pd
  • Formula Anonymous: AB3
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -89.9026492
  • Final energy per atom: -5.618915575
  • 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.