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  1. Third-Parties
  2. MatprojStructure
  3. mp-1181556

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-1181556
  • 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: 18
  • Number of elements: 4
  • Element list: ['Cu', 'N', 'Cl', 'O']
  • Chemical System: Cl-Cu-N-O
  • Density: 1.9971962568292039
  • Atomic Density: 0.040790779406709145
  • Unit Cell Volume: 441.27619677302397
  • Molar Volume: 14.763485394470043
  • Full Formula: Cu2 N4 Cl8 O4
  • Reduced Formula: CuN2(Cl2O)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -63.25642816
  • Final energy per atom: -3.5142460088888887
  • 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.