Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1226931

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-1226931
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Co', 'Cu', 'C', 'N']
  • Chemical System: C-Co-Cu-N
  • Density: 1.988412127099242
  • Atomic Density: 0.055945393064742596
  • Unit Cell Volume: 518.3626105985145
  • Molar Volume: 10.764319330156285
  • Full Formula: Co2 Cu3 C12 N12
  • Reduced Formula: Co2Cu3(CN)12
  • Formula Anonymous: A2B3C12D12
  • Spacegroup Number: 115
  • Spacegroup Symbol: P-4m2
  • Crystal System: tetragonal
  • Pointgroup: -4m2

Thermodynamics:

  • Final energy: -224.52551341
  • Final energy per atom: -7.742259083103448
  • 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.