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  1. Third-Parties
  2. MatprojStructure
  3. mp-1188453

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-1188453
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 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: 2.192966757341978
  • Atomic Density: 0.04478920032976646
  • Unit Cell Volume: 401.88259373850394
  • Molar Volume: 13.445519713817585
  • Full Formula: Cu2 N4 Cl8 O4
  • Reduced Formula: CuN2(Cl2O)2
  • Formula Anonymous: AB2C2D4
  • Spacegroup Number: 136
  • Spacegroup Symbol: P4_2/mnm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -59.19542012
  • Final energy per atom: -3.288634451111111
  • 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.