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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193600

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-1193600
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 26
  • Number of elements: 5
  • Element list: ['Zn', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-N-O-Zn
  • Density: 1.4639947678403753
  • Atomic Density: 0.04147003436973956
  • Unit Cell Volume: 626.9587280345262
  • Molar Volume: 14.52166811897875
  • Full Formula: Zn2 C4 N12 Cl4 O4
  • Reduced Formula: ZnC2N6(ClO)2
  • Formula Anonymous: AB2C2D2E6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -177.93523186
  • Final energy per atom: -6.843662763846154
  • 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.