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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197384

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-1197384
  • 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: 34
  • Number of elements: 6
  • Element list: ['Co', 'H', 'Pd', 'C', 'N', 'O']
  • Chemical System: C-Co-H-N-O-Pd
  • Density: 2.020092065785011
  • Atomic Density: 0.08735163226519341
  • Unit Cell Volume: 389.2314215351854
  • Molar Volume: 6.894136496175829
  • Full Formula: Co1 H12 Pd1 C4 N4 O12
  • Reduced Formula: CoH12PdC4(NO3)4
  • Formula Anonymous: ABC4D4E12F12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -206.02387996
  • Final energy per atom: -6.05952588117647
  • 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.