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  1. Third-Parties
  2. MatprojStructure
  3. mp-643913

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-643913
  • 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: 22
  • Number of elements: 4
  • Element list: ['Co', 'H', 'N', 'Cl']
  • Chemical System: Cl-Co-H-N
  • Density: 2.2451378605061683
  • Atomic Density: 0.09074172376183827
  • Unit Cell Volume: 242.44635309928037
  • Molar Volume: 6.636573023238767
  • Full Formula: Co2 H12 N4 Cl4
  • Reduced Formula: CoH6(NCl)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 74
  • Spacegroup Symbol: Imma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -109.8015438
  • Final energy per atom: -4.990979263636364
  • 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.