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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216088

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-1216088
  • 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: 65
  • Number of elements: 4
  • Element list: ['Zn', 'P', 'N', 'Cl']
  • Chemical System: Cl-N-P-Zn
  • Density: 3.2693327455886085
  • Atomic Density: 0.07566187141048812
  • Unit Cell Volume: 859.0852801849917
  • Molar Volume: 7.95928074172009
  • Full Formula: Zn8 P18 N36 Cl3
  • Reduced Formula: Zn8P18(N12Cl)3
  • Formula Anonymous: A3B8C18D36
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -437.84932212
  • Final energy per atom: -6.736143417230769
  • 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.