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  1. Third-Parties
  2. MatprojStructure
  3. mp-7003

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-7003
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ce', 'P', 'Pd']
  • Chemical System: Ce-P-Pd
  • Density: 7.631081047615146
  • Atomic Density: 0.04967981368048726
  • Unit Cell Volume: 120.77339980758865
  • Molar Volume: 12.121906895084262
  • Full Formula: Ce2 P2 Pd2
  • Reduced Formula: CePPd
  • Formula Anonymous: ABC
  • Spacegroup Number: 194
  • Spacegroup Symbol: P6_3/mmc
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -40.28523784
  • Final energy per atom: -6.714206306666667
  • 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.