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  1. Third-Parties
  2. MatprojStructure
  3. mp-722045

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-722045
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['C', 'N', 'Cl']
  • Chemical System: C-Cl-N
  • Density: 1.262252136013867
  • Atomic Density: 0.044457246427804034
  • Unit Cell Volume: 224.93520862205028
  • Molar Volume: 13.545914882019524
  • Full Formula: C6 N2 Cl2
  • Reduced Formula: C3NCl
  • Formula Anonymous: ABC3
  • Spacegroup Number: 11
  • Spacegroup Symbol: P12_1/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -63.556725240000006
  • Final energy per atom: -6.355672524000001
  • 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.