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  1. Third-Parties
  2. MatprojStructure
  3. mp-1069193

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-1069193
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Pd', 'N', 'Cl']
  • Chemical System: Cl-N-Pd
  • Density: 2.8017708640755137
  • Atomic Density: 0.041084805270105
  • Unit Cell Volume: 121.69949369671725
  • Molar Volume: 14.657829629247281
  • Full Formula: Pd1 N2 Cl2
  • Reduced Formula: Pd(NCl)2
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -22.11685027
  • Final energy per atom: -4.423370054
  • 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.