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  1. Third-Parties
  2. MatprojStructure
  3. mp-21165

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-21165
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 2
  • Element list: ['Pd', 'Se']
  • Chemical System: Pd-Se
  • Density: 7.4742916066018665
  • Atomic Density: 0.048561048820582486
  • Unit Cell Volume: 329.4821752947485
  • Molar Volume: 12.401175234599812
  • Full Formula: Pd8 Se8
  • Reduced Formula: PdSe
  • Formula Anonymous: AB
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -78.3791473
  • Final energy per atom: -4.89869670625
  • 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.