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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192956

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-1192956
  • 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: 26
  • Number of elements: 5
  • Element list: ['Pd', 'Ru', 'N', 'Cl', 'O']
  • Chemical System: Cl-N-O-Pd-Ru
  • Density: 2.5993206710131878
  • Atomic Density: 0.04508746057327605
  • Unit Cell Volume: 576.6570055047756
  • Molar Volume: 13.356575605345592
  • Full Formula: Pd2 Ru2 N10 Cl8 O4
  • Reduced Formula: PdRuN5(Cl2O)2
  • Formula Anonymous: ABC2D4E5
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -127.71895577
  • Final energy per atom: -4.912267529615384
  • 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.