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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227386

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-1227386
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Cd', 'Co', 'C', 'N']
  • Chemical System: C-Cd-Co-N
  • Density: 2.0519130675847315
  • Atomic Density: 0.04670227362123152
  • Unit Cell Volume: 620.9547791012939
  • Molar Volume: 12.894748570147234
  • Full Formula: Cd3 Co2 C12 N12
  • Reduced Formula: Cd3Co2(CN)12
  • Formula Anonymous: A2B3C12D12
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -219.54824915
  • Final energy per atom: -7.570629281034483
  • 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.