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  1. Third-Parties
  2. MatprojStructure
  3. mp-726558

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-726558
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 84
  • Number of elements: 6
  • Element list: ['Mn', 'H', 'C', 'N', 'Cl', 'O']
  • Chemical System: C-Cl-H-Mn-N-O
  • Density: 1.6399059410509407
  • Atomic Density: 0.0851989536509367
  • Unit Cell Volume: 985.9276012256106
  • Molar Volume: 7.068327135416401
  • Full Formula: Mn4 H48 C8 N4 Cl12 O8
  • Reduced Formula: MnH12C2NCl3O2
  • Formula Anonymous: ABC2D2E3F12
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -439.66518327
  • Final energy per atom: -5.234109324642857
  • 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.