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  1. Third-Parties
  2. MatprojStructure
  3. mp-24480

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-24480
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 5
  • Element list: ['Cr', 'H', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cr-H-N-O
  • Density: 1.5603366932676677
  • Atomic Density: 0.10395195947016778
  • Unit Cell Volume: 519.4707273940032
  • Molar Volume: 5.793196001974584
  • Full Formula: Cr2 H34 N8 Cl4 O6
  • Reduced Formula: CrH17N4Cl2O3
  • Formula Anonymous: AB2C3D4E17
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -287.1505106
  • Final energy per atom: -5.3176020481481485
  • 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.