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  1. Third-Parties
  2. MatprojStructure
  3. mp-744737

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-744737
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 116
  • Number of elements: 5
  • Element list: ['Co', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Co-H-N-O
  • Density: 1.3039057357774568
  • Atomic Density: 0.07919229701156605
  • Unit Cell Volume: 1464.7889299518383
  • Molar Volume: 7.604452689534267
  • Full Formula: Co4 H60 N28 Cl4 O20
  • Reduced Formula: CoH15N7ClO5
  • Formula Anonymous: ABC5D7E15
  • Spacegroup Number: 33
  • Spacegroup Symbol: Pna2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -600.47429791
  • Final energy per atom: -5.1765025681896555
  • 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.