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  1. Third-Parties
  2. MatprojStructure
  3. mp-1178803

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-1178803
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 5
  • Element list: ['Zn', 'Cu', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-Cu-N-Zn
  • Density: 2.421063328614773
  • Atomic Density: 0.039307086023428806
  • Unit Cell Volume: 610.5769322532561
  • Molar Volume: 15.320750961825386
  • Full Formula: Zn4 Cu2 C4 N2 Cl12
  • Reduced Formula: Zn2CuC2NCl6
  • Formula Anonymous: ABC2D2E6
  • Spacegroup Number: 24
  • Spacegroup Symbol: I2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -107.31550647
  • Final energy per atom: -4.47147943625
  • 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.