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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201453

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-1201453
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 98
  • Number of elements: 7
  • Element list: ['Mn', 'Zn', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-Mn-N-O-Zn
  • Density: 1.6191277305227554
  • Atomic Density: 0.08231193482561111
  • Unit Cell Volume: 1190.5928369637545
  • Molar Volume: 7.316242502085164
  • Full Formula: Mn2 Zn2 H44 C10 N20 Cl8 O12
  • Reduced Formula: MnZnH22C5N10(Cl2O3)2
  • Formula Anonymous: ABC4D5E6F10G22
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -589.02075794
  • Final energy per atom: -6.010415897346938
  • 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.