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  1. Third-Parties
  2. MatprojStructure
  3. mp-1216152

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-1216152
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 44
  • Number of elements: 5
  • Element list: ['Zn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-N-O-Zn
  • Density: 1.883562851302333
  • Atomic Density: 0.10204906108911653
  • Unit Cell Volume: 431.16516242688465
  • Molar Volume: 5.90122113396128
  • Full Formula: Zn2 H18 C10 N2 O12
  • Reduced Formula: ZnH9C5NO6
  • Formula Anonymous: ABC5D6E9
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -262.70789342
  • Final energy per atom: -5.970633941363636
  • 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.