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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194632

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-1194632
  • 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: 58
  • Number of elements: 4
  • Element list: ['Zn', 'H', 'N', 'O']
  • Chemical System: H-N-O-Zn
  • Density: 2.0757358047858214
  • Atomic Density: 0.09319648029590781
  • Unit Cell Volume: 622.3410993188198
  • Molar Volume: 6.461768449708747
  • Full Formula: Zn4 H20 N24 O10
  • Reduced Formula: Zn2H10N12O5
  • Formula Anonymous: A2B5C10D12
  • Spacegroup Number: 13
  • Spacegroup Symbol: P12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -352.64917153
  • Final energy per atom: -6.080158129827586
  • 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.