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  1. Third-Parties
  2. MatprojStructure
  3. mp-542858

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-542858
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 4
  • Element list: ['Zn', 'Co', 'C', 'N']
  • Chemical System: C-Co-N-Zn
  • Density: 1.4095429743686707
  • Atomic Density: 0.03930459190214049
  • Unit Cell Volume: 1475.6545531475517
  • Molar Volume: 15.32172315894734
  • Full Formula: Zn6 Co4 C24 N24
  • Reduced Formula: Zn3Co2(CN)12
  • Formula Anonymous: A2B3C12D12
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -455.85874897
  • Final energy per atom: -7.8596336029310345
  • 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.