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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200530

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-1200530
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-H-N-Zn
  • Density: 1.8020493354712972
  • Atomic Density: 0.06401168695486398
  • Unit Cell Volume: 812.3516575444469
  • Molar Volume: 9.407876977599953
  • Full Formula: Zn4 H16 C8 N16 Cl8
  • Reduced Formula: ZnH4C2(N2Cl)2
  • Formula Anonymous: AB2C2D4E4
  • Spacegroup Number: 29
  • Spacegroup Symbol: Pca2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -311.56349381
  • Final energy per atom: -5.991605650192308
  • 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.