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  1. Third-Parties
  2. MatprojStructure
  3. mp-600226

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-600226
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 54
  • Number of elements: 4
  • Element list: ['Mn', 'H', 'C', 'N']
  • Chemical System: C-H-Mn-N
  • Density: 1.7382479384151868
  • Atomic Density: 0.11077519397883305
  • Unit Cell Volume: 487.4737570788486
  • Molar Volume: 5.436362188768284
  • Full Formula: Mn2 H24 C8 N20
  • Reduced Formula: MnH12(C2N5)2
  • Formula Anonymous: AB4C10D12
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -341.87630490000004
  • Final energy per atom: -6.331042683333334
  • 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.