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  1. Third-Parties
  2. MatprojStructure
  3. mp-600171

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-600171
  • 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: 92
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Zn
  • Density: 1.7165596504204992
  • Atomic Density: 0.07808832607652653
  • Unit Cell Volume: 1178.153055936172
  • Molar Volume: 7.711960369208458
  • Full Formula: Zn4 H32 C16 N32 Cl8
  • Reduced Formula: ZnH8C4(N4Cl)2
  • Formula Anonymous: AB2C4D8E8
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -583.5169589699999
  • Final energy per atom: -6.34257564097826
  • 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.