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  1. Third-Parties
  2. MatprojStructure
  3. mp-1006615

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-1006615
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Cr', 'Cu', 'N', 'Cl']
  • Chemical System: Cl-Cr-Cu-N
  • Density: 2.403982213546554
  • Atomic Density: 0.0499413291892279
  • Unit Cell Volume: 1041.2217865281837
  • Molar Volume: 12.058431078560371
  • Full Formula: Cr4 Cu4 N24 Cl20
  • Reduced Formula: CrCuN6Cl5
  • Formula Anonymous: ABC5D6
  • Spacegroup Number: 224
  • Spacegroup Symbol: Pn-3m1
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -240.14553997
  • Final energy per atom: -4.618183460961538
  • 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.