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  1. Third-Parties
  2. MatprojStructure
  3. mp-603406

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-603406
  • 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: 148
  • Number of elements: 6
  • Element list: ['Co', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-Co-H-N-O
  • Density: 1.6845576169776435
  • Atomic Density: 0.11070216894762712
  • Unit Cell Volume: 1336.9205084863186
  • Molar Volume: 5.439948302050936
  • Full Formula: Co4 H84 C8 N24 Cl8 O20
  • Reduced Formula: CoH21C2N6Cl2O5
  • Formula Anonymous: AB2C2D5E6F21
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -822.94368905
  • Final energy per atom: -5.560430331418919
  • 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.