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  1. Third-Parties
  2. MatprojStructure
  3. mp-1220055

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-1220055
  • 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: 16
  • Number of elements: 4
  • Element list: ['Pd', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-Pd
  • Density: 3.301661637461031
  • Atomic Density: 0.06379112317293717
  • Unit Cell Volume: 250.81859676030695
  • Molar Volume: 9.440405593226554
  • Full Formula: Pd2 N8 Cl4 O2
  • Reduced Formula: PdN4Cl2O
  • Formula Anonymous: ABC2D4
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -70.06305978
  • Final energy per atom: -4.37894123625
  • 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.