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  1. Third-Parties
  2. MatprojStructure
  3. mp-1182648

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-1182648
  • 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: 104
  • Number of elements: 5
  • Element list: ['Co', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Co-H-N-O
  • Density: 1.0707158220441075
  • Atomic Density: 0.06423362981978892
  • Unit Cell Volume: 1619.0895686850934
  • Molar Volume: 9.375370466989732
  • Full Formula: Co4 H60 N24 Cl8 O8
  • Reduced Formula: CoH15N6(ClO)2
  • Formula Anonymous: AB2C2D6E15
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -513.02487087
  • Final energy per atom: -4.932931450673077
  • 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.