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  1. Third-Parties
  2. MatprojStructure
  3. mp-24013

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-24013
  • 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: 248
  • Number of elements: 5
  • Element list: ['H', 'N', 'Cl', 'Cr', 'Cu']
  • Chemical System: Cl-Cr-Cu-H-N
  • Density: 1.8423090041908725
  • Atomic Density: 0.08707404671059829
  • Unit Cell Volume: 2848.1506185678913
  • Molar Volume: 6.916114488184238
  • Full Formula: Cr8 Cu8 H144 N48 Cl40
  • Reduced Formula: CrCuH18N6Cl5
  • Formula Anonymous: ABC5D6E18
  • Spacegroup Number: 228
  • Spacegroup Symbol: Fd-3c1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -1253.24449542
  • Final energy per atom: -5.053405223467742
  • 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.