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  1. Third-Parties
  2. MatprojStructure
  3. mp-1200380

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-1200380
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 112
  • Number of elements: 5
  • Element list: ['Mn', 'H', 'C', 'N', 'O']
  • Chemical System: C-H-Mn-N-O
  • Density: 2.323776601728043
  • Atomic Density: 0.08668691841069323
  • Unit Cell Volume: 1292.0057841874361
  • Molar Volume: 6.947000620634752
  • Full Formula: Mn8 H8 C32 N24 O40
  • Reduced Formula: MnHC4N3O5
  • Formula Anonymous: ABC3D4E5
  • Spacegroup Number: 88
  • Spacegroup Symbol: I4_1/a
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -881.13398985
  • Final energy per atom: -7.867267766517857
  • 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.