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  1. Third-Parties
  2. MatprojStructure
  3. mp-1180959

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-1180959
  • 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: 136
  • Number of elements: 4
  • Element list: ['Pd', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-N-Pd
  • Density: 1.8389221999461838
  • Atomic Density: 0.04247439220012334
  • Unit Cell Volume: 3201.9292791576445
  • Molar Volume: 14.178285899009316
  • Full Formula: Pd8 C64 N16 Cl48
  • Reduced Formula: PdC8(NCl3)2
  • Formula Anonymous: AB2C6D8
  • Spacegroup Number: 228
  • Spacegroup Symbol: Fd-3c1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -699.00803308
  • Final energy per atom: -5.139764949117647
  • 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.