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  1. Third-Parties
  2. MatprojStructure
  3. mp-24376

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-24376
  • 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: 38
  • Number of elements: 5
  • Element list: ['Cr', 'Co', 'H', 'C', 'N']
  • Chemical System: C-Co-Cr-H-N
  • Density: 1.5435533614587031
  • Atomic Density: 0.09566975800561417
  • Unit Cell Volume: 397.19970858262286
  • Molar Volume: 6.294717249777722
  • Full Formula: Cr1 Co1 H18 C6 N12
  • Reduced Formula: CrCoH18(CN2)6
  • Formula Anonymous: ABC6D12E18
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -242.28612409
  • Final energy per atom: -6.375950633947368
  • 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.