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  1. Third-Parties
  2. MatprojStructure
  3. mp-570040

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-570040
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Cu', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-Cu-H-N
  • Density: 1.7249547520621047
  • Atomic Density: 0.07582470426645173
  • Unit Cell Volume: 685.7923219491823
  • Molar Volume: 7.942188259433102
  • Full Formula: Cu4 H20 C20 N4 Cl4
  • Reduced Formula: CuH5C5NCl
  • Formula Anonymous: ABCD5E5
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -313.92397330999995
  • Final energy per atom: -6.036999486730768
  • 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.