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  1. Third-Parties
  2. MatprojStructure
  3. mp-1196721

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-1196721
  • 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: 136
  • Number of elements: 6
  • Element list: ['Co', 'H', 'I', 'N', 'Cl', 'O']
  • Chemical System: Cl-Co-H-I-N-O
  • Density: 2.052654477581156
  • Atomic Density: 0.09890489497316372
  • Unit Cell Volume: 1375.0583329258016
  • Molar Volume: 6.088819730948617
  • Full Formula: Co4 H80 I4 N24 Cl8 O16
  • Reduced Formula: CoH20IN6(ClO2)2
  • Formula Anonymous: ABC2D4E6F20
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -696.11173997
  • Final energy per atom: -5.11846867625
  • 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.