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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195586

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-1195586
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 76
  • Number of elements: 4
  • Element list: ['Mn', 'H', 'C', 'N']
  • Chemical System: C-H-Mn-N
  • Density: 1.5509967392244137
  • Atomic Density: 0.08027158465491527
  • Unit Cell Volume: 946.7858436671127
  • Molar Volume: 7.502207394919351
  • Full Formula: Mn4 H24 C16 N32
  • Reduced Formula: MnH6(CN2)4
  • Formula Anonymous: AB4C6D8
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -534.99597425
  • Final energy per atom: -7.039420713815789
  • 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.